1-(2,4-Difluorophenyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
106795-36-2- Standard SMILES
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)CCN1- InChIKey
BOZFMCOZVKUGON-UHFFFAOYSA-N- Molecular formula
- C21H17F4N3O3
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.12060406
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-(2,4-difluorophenyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
106795-36-21-(2,4-difluorophenyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-SCHEMBL9869967DTXSID409101141-(2,4-difluorophenyl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
106795-36-2- PubChem CID
- 483595
- DTXSID
DTXSID40910114- Nikkaji
- J772.242G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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