4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
428834-55-3- Standard SMILES
COc1ccccc1C1C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)NC2=C1C(=O)CC(C)(C)C2- InChIKey
KURZEBOSNXGDAQ-UHFFFAOYSA-N- Molecular formula
- C27H27F3N2O3
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.19737721
Names & identifiers
- Preferred name
- 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
Names & synonyms
4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideAKOS024412625AB00109559-01
Database identifiers
- CAS
428834-55-3- PubChem CID
- 2901161
- EC Number
- 132-956-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 921
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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