Molecule ID: 3538644

IUPAC Name: quinoline-2-carboxylate

Description: The molecule is a quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a quinaldic acid.

SMILES: O=C([O-])c1ccc2ccccc2n1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]

InChI: InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 53.0 Ų
- LogP: 2.3