Molecule ID: 121225522

IUPAC Name: 7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Description: The molecule is a fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spectrum bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood. It has a role as an antibacterial drug. It is a fluoroquinolone antibiotic, a member of monofluorobenzenes, a N-alkylpiperazine and a monocarboxylic acid.

SMILES: CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4)CC1

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

InChI: InChI=1S/C16H17FN4O4/c1-19-2-4-20(5-3-19)13-11(17)6-9-12-15(13)25-8-18-21(12)7-10(14(9)22)16(23)24/h6-7,18H,2-5,8H2,1H3,(H,23,24)

Molecular Properties:
- Polar Surface Area: 85.4 Ų
- LogP: -1.0