3-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-
Basic information
- CAS
164662-45-7- Standard SMILES
Cc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(C)NC(C)C3)cc21- InChIKey
NKLUTHUACREKSY-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-(2-methylphenyl)-4-oxo-
- IUPAC
- 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
164662-45-73-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-CHEMBL100669DTXSID709369687-(3,5-Dimethylpiperazin-1-yl)-6-fluoro-1-(2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(o-tolyl)-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
164662-45-7- PubChem CID
- 464879
- DTXSID
DTXSID70936968- ChEMBL
CHEMBL100669- Nikkaji
- J685.687J
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
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…