Basic information
- CAS
182869-08-5- Standard SMILES
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)CC(C)N1- InChIKey
DENFGZRZUOJXKX-UHFFFAOYSA-N- Molecular formula
- C22H19F4N3O3
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.13625412
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
182869-08-51-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-DTXSID209396461-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
182869-08-5- PubChem CID
- 483603
- DTXSID
DTXSID20939646- Nikkaji
- J772.243E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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