2-Methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
683786-20-1- Standard SMILES
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1- InChIKey
UPSLMWSDSMQJCT-UHFFFAOYSA-N- Molecular formula
- C30H25F3N2O2
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.18681253
Names & identifiers
- Preferred name
- 2-Methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 2-methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- 2-Methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- Molecular formula
- C30H25F3N2O2
- Molecular weight
- 502.53
Names & synonyms
AKOS001658860AKOS0219968572-METHYL-5-OXO-4,7-DIPHENYL-N-[3-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE2-methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide3-Quinolinecarboxamide, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4,7-diphenyl-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
683786-20-1- PubChem CID
- 3703726
- EC Number
- 133-014-1
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 941
Physicochemical properties
- Boiling point
- 659.295 · 659.295±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.33 · 1.330±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.358 · 13.358±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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