7-Chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylic acid
Basic information
- CAS
862661-16-3- Standard SMILES
Cc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1C- InChIKey
PQJXCQMMSKMAMH-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO2
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0869564
Names & identifiers
- Preferred name
- 7-Chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylic acid
- IUPAC
- 7-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylic acid
- English name
- 7-Chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylic acid
- Molecular formula
- C19H16ClNO2
- Molecular weight
- 325.79
Names & synonyms
7-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylic acid862661-16-3MFCD03422149DTXSID901162086ALBB-0007087-chloro-2-(3,4-dimethylphenyl)-8-methyl-quinoline-4-carboxylic AcidBBL017685STK470343AKOS003367817SB72257VS-06399ST50877160
Show more names
4-Quinolinecarboxylic acid, 7-chloro-2-(3,4-dimethylphenyl)-8-methyl-
H210727-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxylicacid2-(3,4-dimethylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid7-Chloro-2-(3,4-dimethylphenyl)-8-methyl-4-quinolinecarboxylic acid
Database identifiers
- CAS
862661-16-3- PubChem CID
- 3966299
- DTXSID
DTXSID901162086
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 508.5 · 508.5±50.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.10(Predicted)
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Compound notes
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