(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
Basic information
- CAS
143383-60-2- Standard SMILES
Cc1c(F)c(N2CC[C@@H]([C@H](C)N)C2)cc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F- InChIKey
FPAATSNRMQKCCX-QWHCGFSZSA-N- Molecular formula
- C23H22F3N3O3
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.16132606
Names & identifiers
- Preferred name
- (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Names & synonyms
143383-60-2(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-(1-aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, (S-(R*,S*))-SCHEMBL8924265DTXSID909318547-[3-(1-Aminoethyl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-{(3R)-3-[(1S)-1-Aminoethyl]pyrrolidin-1-yl}-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
143383-60-2- PubChem CID
- 197328
- DTXSID
DTXSID90931854- Nikkaji
- J522.293A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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