tert-butyl 2-(2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)acetate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21- InChIKey
NSQKBPVFFSNBFB-UHFFFAOYSA-N- Molecular formula
- C22H22F3NO3
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.15517805
Names & identifiers
- Preferred name
- tert-butyl 2-(2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)acetate
- IUPAC
- tert-butyl 2-[2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-1-yl]acetate
Names & synonyms
tert-butyl 2-(2-oxo-6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)acetateSCHEMBL3306832
Database identifiers
- PubChem CID
- 59316619
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
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Related reactions
4 records
Compound notes
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