Basic information
- Standard SMILES
COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(CC(F)(F)F)c12- InChIKey
PNAVIMMUMCEVBK-UHFFFAOYSA-N- Molecular formula
- C19H21F4N3O4
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- 7-[(3RS,5SR)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
Names & synonyms
7-[(3RS,5SR)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL966516
Database identifiers
- PubChem CID
- 66860784
Properties
Computed structural properties
- 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
2 records
Compound notes
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