(2-Chloroquinazolin-4-yl)-(4-methoxyphenyl)-methylamine , CAS No.827030-33-1

CAS: 827030-33-1 Cat. No.: C669160 Molecular Weight: 299.75 PubChem CID: 11738112
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Synonyms
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine | (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)-methylamine | MPI-0441138 | CIPVUQSDDVFBPO-UHFFFAOYSA-N | DTXSID60471494 | CIB03033 | BDBM50557544 | AKOS011763860 | (2-chloro-quinazolin-4-yl)-(4-methox
Storage
Room temperature
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Size
Status
Price
Qty
1mg
C669160-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
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5mg
C669160-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$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
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine | (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)-methylamine | MPI-0441138 | CIPVUQSDDVFBPO-UHFFFAOYSA-N | DTXSID60471494 | CIB03033 | BDBM50557544 | AKOS011763860 | (2-chloro-quinazolin-4-yl)-(4-methox
Storage
Room temperature
Product Properties
ALogP4.5
Names and Identifiers
Canonical SmilesCN(C1=CC=C(C=C1)OC)C2=NC(=NC3=CC=CC=C32)Cl
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
InChIKeyCIPVUQSDDVFBPO-UHFFFAOYSA-N
INCHI1S/C16H14ClN3O/c1-20(11-7-9-12(21-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-10H,1-2H3
Isomeric SMILES CN(C1=CC=C(C=C1)OC)C2=NC(=NC3=CC=CC=C32)Cl
PubChem CID 11738112
Molecular Weight 299.75

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
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines
Direct ParentAlkyldiarylamines
Alternative Parents Quinazolinamines  Methoxyanilines  Phenoxy compounds  Methoxybenzenes  Anisoles  Aminopyrimidines and derivatives  Alkyl aryl ethers  2-halopyrimidines  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyldiarylamine - Quinazolinamine - Quinazoline - Methoxyaniline - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Aminopyrimidine - Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EGFR Tclin Epidermal growth factor receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TOP1 Tclin DNA topoisomerase I (7553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-398 (481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MX1 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Top2 DNA topoisomerase II (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TUBB2B Tubulin (2175 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 Weight299.750 g/mol
XLogP34.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass299.083 Da
Monoisotopic Mass299.083 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count21
Formal Charge0
Complexity335.000
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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