6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• ChemBase ID: 311265
• Molecular Formular: C11H9NO4
• Molecular Mass: 219.19346
• Monoisotopic Mass: 219.05315777
• SMILES: c1(c(=O)c2c([nH]c1)ccc(c2)OC)C(=O)O
• Canonical SMILES: COc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O
• InChI: InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
• InChIKey: YUXLPEGMXYHPCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• IUPAC Traditional name: 6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
• Synonyms: 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Database IDs

• CAS Number: 34785-07-4
• MDL Number: MFCD00024003

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.139138
• LogD (pH = 7.4): -0.10927718
• Log P: 1.3795018
• Molar Refractivity: 57.5562 cm^3
• Polarizability: 21.008327 Å^3
• Polar Surface Area: 75.63 Å^2