3-Quinolinecarboxylic acid, 6-fluoro-1-(2-fluoro-4-methylphenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Basic information
- CAS
164662-41-3- Standard SMILES
Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)c(F)c1- InChIKey
YSBYRJYUZXQXTR-UHFFFAOYSA-N- Molecular formula
- C21H19F2N3O3
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.1394478
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 6-fluoro-1-(2-fluoro-4-methylphenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 6-fluoro-1-(2-fluoro-4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Names & synonyms
164662-41-36-Fluoro-1-(2-fluoro-4-methylphenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 6-fluoro-1-(2-fluoro-4-methylphenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-CHEMBL101673DTXSID501677936-fluoro-1-(2-fluoro-4-methyl-phenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
Database identifiers
- CAS
164662-41-3- PubChem CID
- 464875
- DTXSID
DTXSID50167793- ChEMBL
CHEMBL101673- Nikkaji
- J684.249F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 682
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Compound notes
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