3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Basic information
- CAS
164662-42-4- Standard SMILES
O=C(O)c1cn(-c2ccc(Cl)cc2Cl)c2cc(N3CCNCC3)c(F)cc2c1=O- InChIKey
VBHUHSOYPDAOFN-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2FN3O3
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.0552749
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
- IUPAC
- 1-(2,4-dichlorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Names & synonyms
164662-42-41-(2,4-Dichlorophenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-CHEMBL101729DTXSID101677941-(2,4-dichlorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
Database identifiers
- CAS
164662-42-4- PubChem CID
- 464876
- DTXSID
DTXSID10167794- ChEMBL
CHEMBL101729- Nikkaji
- J684.250J
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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