Molecule ID: 164974

IUPAC Name: 2-heptyl-1H-quinolin-4-one

Description: The molecule is a quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2. It has a role as an antibacterial agent, an iron chelator, a signalling molecule and a metabolite. It is a tautomer of a 2-heptyl-4-hydroxyquinoline.

SMILES: CCCCCCCc1cc(=O)c2ccccc2[nH]1

SELFIES: [C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O]

InChI: InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 4.9