Basic information
- CAS
364360-80-5- Standard SMILES
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)[C@H]1NCc1ccccc1- InChIKey
WGUIKGMVZBPELF-PZJWPPBQSA-N- Molecular formula
- C22H18ClF3N2O
- Average molar mass
- 418.8 g/mol
- Monoisotopic mass
- 418.1059754
Names & identifiers
- Preferred name
- (3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
- IUPAC
- (3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
Names & synonyms
Quinolinone deriv. 7a(3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-oneBDBM3001CHEMBL293069DTXSID401105239(3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-one364360-80-5(3R,4R)-6-Chloro-4-(2-cyclopropylethynyl)-3-[benzylamino]-4-(trifluoromethyl)-1,3,4-trihydroquinolin-2-one, relrel-(3R,4R)-6-Chloro-4-(2-cyclopropylethynyl)-3,4-dihydro-3-[(phenylmethyl)amino]-4-(trifluoromethyl)-2(1H)-quinolinone
Database identifiers
- CAS
364360-80-5- PubChem CID
- 484164
- DTXSID
DTXSID401105239- ChEMBL
CHEMBL293069- Nikkaji
- J1.551.781F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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