Molecule ID: 54697685

IUPAC Name: 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-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-3-ethyl-1,3,4-thiadizole. It is a monocarboxylic acid amide, a monohydroxyquinoline, a quinolone and a member of thiadiazoles.

SMILES: CCCCn1c(=O)c(C(O)=Nc2nnc(CC)s2)c(O)c2ccccc21

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

InChI: InChI=1S/C18H20N4O3S/c1-3-5-10-22-12-9-7-6-8-11(12)15(23)14(17(22)25)16(24)19-18-21-20-13(4-2)26-18/h6-9,23H,3-5,10H2,1-2H3,(H,19,21,24)

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 3.3