Basic information
- CAS
174358-28-2- Standard SMILES
CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1- InChIKey
MPFNSDAEDQRENN-UHFFFAOYSA-N- Molecular formula
- C24H24F3N3O3
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.17697612
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 7-(4-butyl-1-piperazinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
- IUPAC
- 7-(4-butylpiperazin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
PD161654174358-28-23-Quinolinecarboxylic acid, 7-(4-butyl-1-piperazinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-CHEMBL15384DTXSID501698187-(4-Butylpiperazin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(4-butylpiperazin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
174358-28-2- PubChem CID
- 465571
- DTXSID
DTXSID50169818- ChEMBL
CHEMBL15384
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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