3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(1-piperazinyl)-
Basic information
- CAS
114213-72-8- Standard SMILES
COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c12- InChIKey
IMLGJAKOVVNZSV-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O4
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 433.12494055
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 1-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Names & synonyms
PD161318114213-72-83-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(1-piperazinyl)-SCHEMBL9773828DTXSID801506781-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid1-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
Database identifiers
- CAS
114213-72-8- PubChem CID
- 465573
- DTXSID
DTXSID80150678- Nikkaji
- J772.247H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 733
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Compound notes
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