Molecule ID: 76230

IUPAC Name: 8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid

Description: The molecule is a quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8. It has a role as a metabolite, a carcinogenic agent and a mouse metabolite. It is a quinolinemonocarboxylic acid and a monohydroxyquinoline. It derives from a kynurenic acid.

SMILES: COc1cccc2c(O)cc(C(=O)O)nc12

SELFIES: [C][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][=C][Ring1][#Branch2]

InChI: InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)

Molecular Properties:
- Polar Surface Area: 75.6 Ų
- LogP: 1.3