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Basic information
- Standard SMILES
COc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(CC(F)(F)F)c12- InChIKey
PNAVIMMUMCEVBK-AOOOYVTPSA-N- Molecular formula
- C19H21F4N3O4
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- 7-(cis-3,5-Dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-1-(2,2,2-trifluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
Names & synonyms
7-(cis-3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-1-(2,2,2-trifluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL4252822
Database identifiers
- PubChem CID
- 57794183
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
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