4-methyl-N-(quinolin-3-yl)benzamide , CAS No.713097-78-0

CAS: 713097-78-0 Cat. No.: M668589 Molecular Weight: 262.3
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Synonyms
4-methyl-N-(quinolin-3-yl)benzamide | MLS000534931 | 4-methyl-N-quinolin-3-ylbenzamide | 4-methyl-N-3-quinolinylbenzamide | SMR000142366 | cid_974969 | BDBM48261 | 4-methyl-N-(3-quinolyl)benzamide | HMS2338O16 | 4-methyl-N-(3-quinolinyl)benzamide | 4-meth
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M668589-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
M668589-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-methyl-N-(quinolin-3-yl)benzamide | MLS000534931 | 4-methyl-N-quinolin-3-ylbenzamide | 4-methyl-N-3-quinolinylbenzamide | SMR000142366 | cid_974969 | BDBM48261 | 4-methyl-N-(3-quinolyl)benzamide | HMS2338O16 | 4-methyl-N-(3-quinolinyl)benzamide | 4-meth
Storage
Room temperature
Product Properties
ALogP3.9
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
IUPAC Name4-methyl-N-quinolin-3-ylbenzamide
InChIKeyGPHWKSMAPBOQQE-UHFFFAOYSA-N
INCHI1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20)
Isomeric SMILES CC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
Molecular Weight 262.3
Reaxy-Rn 12050975
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12050975&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentQuinolines and derivatives
Alternative Parents p-Toluamides  Benzamides  Benzoyl derivatives  Pyridines and derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KLF5 Tchem Krueppel-like factor 5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KLF5 Tchem Kruppel-like factor 5 (178 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XBP1 Tchem X-box-binding protein 1 (1001 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Luciferase (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsf1 Heat shock factor protein 1 (5445 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PYK Pyruvate kinase (6726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mitf Microphthalmia-associated transcription factor (11 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
vpr Aberrant vpr protein (14595 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight262.300 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass262.111 Da
Monoisotopic Mass262.111 Da
Topological Polar Surface Area42.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity336.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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