3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-, [R-(R*,R*)]-
Basic information
- CAS
143382-87-0- Standard SMILES
CCN[C@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1- InChIKey
KRRFNOYEJSQDRL-VXGBXAGGSA-N- Molecular formula
- C22H25F4N3O3
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.18320432
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-, [R-(R*,R*)]-
- IUPAC
- 1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL8327856CHEMBL2110211DTXSID501100632143382-87-03-Quinolinecarboxylic acid, 1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-, [R-(R*,R*)]-
Database identifiers
- CAS
143382-87-0- PubChem CID
- 197325
- DTXSID
DTXSID501100632- ChEMBL
CHEMBL2110211
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 785
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Compound notes
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