3-Quinolinecarboxylic acid, 1-(2,4-dimethylphenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Basic information
- CAS
164662-39-9- Standard SMILES
Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)c(C)c1- InChIKey
GBUIYURVKFXHFL-UHFFFAOYSA-N- Molecular formula
- C22H22FN3O3
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.16451973
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-(2,4-dimethylphenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 1-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Names & synonyms
164662-39-91-(2,4-Dimethylphenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(2,4-dimethylphenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-CHEMBL265263DTXSID008786051-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid1-(2,4-Dimethylphenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Database identifiers
- CAS
164662-39-9- PubChem CID
- 464872
- DTXSID
DTXSID00878605- ChEMBL
CHEMBL265263- Nikkaji
- J684.247J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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