4-amino-6-methylquinoline-3-carboxylic acid

• ChemBase ID: 309060
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(c(c2c(nc1)ccc(c2)C)N)C(=O)O
• Canonical SMILES: Cc1ccc2c(c1)c(N)c(cn2)C(=O)O
• InChI: InChI=1S/C11H10N2O2/c1-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
• InChIKey: YALLSKGHTVYOOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methylquinoline-3-carboxylic acid
• IUPAC Traditional name: 4-amino-6-methylquinoline-3-carboxylic acid
• Synonyms: 4-amino-6-methyl-3-quinolinecarboxylic acid

Database IDs

• CAS Number: 359427-49-9
• MDL Number: MFCD11557314

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.55412686
• LogD (pH = 7.4): 0.5116617
• Log P: 0.5523362
• Molar Refractivity: 56.9771 cm^3
• Polarizability: 22.164684 Å^3
• Polar Surface Area: 76.21 Å^2