Basic information
- CAS
182869-17-6- Standard SMILES
COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c12- InChIKey
FCNLKZLHCHOQFT-UHFFFAOYSA-N- Molecular formula
- C23H22F3N3O4
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 461.15624068
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Names & synonyms
1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid182869-17-63-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-DTXSID009396491-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
182869-17-6- PubChem CID
- 483604
- DTXSID
DTXSID00939649- Nikkaji
- J772.249D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 789
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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