4-(quinoline-2-amido)benzoic acid

• ChemBase ID: 311384
• Molecular Formular: C17H12N2O3
• Molecular Mass: 292.28878
• Monoisotopic Mass: 292.08479225
• SMILES: n1c(C(=O)Nc2ccc(C(=O)O)cc2)ccc2c1cccc2
• Canonical SMILES: O=C(c1ccc2c(n1)cccc2)Nc1ccc(cc1)C(=O)O
• InChI: InChI=1S/C17H12N2O3/c20-16(18-13-8-5-12(6-9-13)17(21)22)15-10-7-11-3-1-2-4-14(11)19-15/h1-10H,(H,18,20)(H,21,22)
• InChIKey: GYDKTBBBADIVCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(quinoline-2-amido)benzoic acid
• IUPAC Traditional name: 4-(quinoline-2-amido)benzoic acid
• Synonyms: 4-[(quinolin-2-ylcarbonyl)amino]benzoic acid

Database IDs

• CAS Number: 190437-68-4
• MDL Number: MFCD00498384

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9004751
• LogD (pH = 7.4): 0.19962816
• Log P: 3.2662184
• Molar Refractivity: 82.397 cm^3
• Polarizability: 31.880005 Å^3
• Polar Surface Area: 79.29 Å^2