3-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-1-(4-methylphenyl)-4-oxo-
Basic information
- CAS
164662-46-8- Standard SMILES
Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(C)NC(C)C4)cc32)cc1- InChIKey
NMPOZUFFTGGAMN-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.1801698
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-1-(4-methylphenyl)-4-oxo-
- IUPAC
- 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(4-methylphenyl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
164662-46-83-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-1-(4-methylphenyl)-4-oxo-CHEMBL98794DTXSID309369697-(3,5-Dimethylpiperazin-1-yl)-6-fluoro-1-(4-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1-(p-tolyl)quinoline-3-carboxylic acid
Database identifiers
- CAS
164662-46-8- PubChem CID
- 464880
- DTXSID
DTXSID30936969- ChEMBL
CHEMBL98794- Nikkaji
- J685.688H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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