Basic information
- CAS
143383-67-9- Standard SMILES
CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1- InChIKey
LNTNNMBWJUVBRJ-WDEREUQCSA-N- Molecular formula
- C21H23F4N3O3
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.16755425
Names & identifiers
- Preferred name
- (S-(R,S))-1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-(1-(methylamino)ethyl)-1-pyrrolidinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
Names & synonyms
143383-67-9(S-(R,S))-1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-(1-(methylamino)ethyl)-1-pyrrolidinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-7-(3-(1-(methylamino)ethyl)-1-pyrrolidinyl)-4-oxo-8-(trifluoromethyl)-, (S-(R*,S*))-SCHEMBL8325321DTXSID509318551-cyclopropyl-6-fluoro-7-{(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl}-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-7-{3-[1-(methylamino)ethyl]pyrrolidin-1-yl}-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
143383-67-9- PubChem CID
- 197329
- DTXSID
DTXSID50931855
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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