Molecule ID: 54676541

IUPAC Name: 4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enylquinoline-3-carboxamide

Description: The molecule is a member of the class of quinolones that is the amide obtained from formal condensation of the carboxy group of 1-allyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid with the amino group of 2-amino-4-phenyl-1,3-thiazole. It is a member of 1,3-thiazoles, a monocarboxylic acid amide, a monohydroxyquinoline and a quinolone.

SMILES: C=CCn1c(=O)c(C(O)=Nc2nc(-c3ccccc3)cs2)c(O)c2ccccc21

SELFIES: [C][=C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C22H17N3O3S/c1-2-12-25-17-11-7-6-10-15(17)19(26)18(21(25)28)20(27)24-22-23-16(13-29-22)14-8-4-3-5-9-14/h2-11,13,26H,1,12H2,(H,23,24,27)

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: 4.1