1-(2,4-Difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Basic information
- CAS
100490-72-0- Standard SMILES
CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1- InChIKey
LZLPFPCKKKILRV-UHFFFAOYSA-N- Molecular formula
- C20H17F3N4O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.1252749
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
100490-72-01-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acidT 12221,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidCHEMBL80636SCHEMBL10902308DTXSID50905551CID 483597DB-290551
Database identifiers
- CAS
100490-72-0- PubChem CID
- 483597
- DTXSID
DTXSID50905551- ChEMBL
CHEMBL80636
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 723
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Compound notes
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