5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one , CAS No.131451-78-0

CAS: 131451-78-0 Cat. No.: D668641 Molecular Weight: 233.26 PubChem CID: 1504717
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Synonyms
5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one | 5,8-dimethoxy-1,4-dimethylquinolin-2-one | 5,8-dimethoxy-1,4-dimethyl-2(1H)-quinolinone | BDBM29223 | FTGZPMFPUDKJBX-UHFFFAOYSA-N | HMS3604K14 | STK736911 | AKOS000643970 | DB08228 | SB71831 | PD004624 | 1H-Q
Storage
Room temperature
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1mg
D668641-1mg
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$571.90

$999.90
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5mg
D668641-5mg
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$1,999.90

$2,999.90
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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
5, 8-Dimethoxy-1, 4-dimethylquinolin-2(1H)-one | 5, 8-dimethoxy-1, 4-dimethylquinolin-2-one | 5, 8-dimethoxy-1, 4-dimethyl-2(1H)-quinolinone | BDBM29223 | FTGZPMFPUDKJBX-UHFFFAOYSA-N | HMS3604K14 | STK736911 | AKOS000643970 | DB08228 | SB71831 | PD004624 | 1H-Q
Storage
Room temperature
Product Properties
ALogP1.4
Names and Identifiers
Canonical SmilesCC1=CC(=O)N(C2=C(C=CC(=C12)OC)OC)C
IUPAC Name5,8-dimethoxy-1,4-dimethylquinolin-2-one
InChIKeyFTGZPMFPUDKJBX-UHFFFAOYSA-N
INCHI1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
Isomeric SMILES CC1=CC(=O)N(C2=C(C=CC(=C12)OC)OC)C
PubChem CID 1504717
Molecular Weight 233.26

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroquinolones
Alternative Parents Hydroquinolines  Anisoles  Pyridinones  Methylpyridines  Alkyl aryl ethers  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dihydroquinolone - Dihydroquinoline - Anisole - Alkyl aryl ether - Pyridinone - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP19A1 Tclin Aromatase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NQO2 Tchem Quinone reductase 2 (885 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 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 Weight233.260 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.105 Da
Monoisotopic Mass233.105 Da
Topological Polar Surface Area38.800 Ų
Heavy Atom Count17
Formal Charge0
Complexity340.000
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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