Basic information
- CAS
428829-14-5- Standard SMILES
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)C(c2ccc(F)cc2)C2=C(CCCC2=O)N1- InChIKey
RLAAGAQFHFKTRS-UHFFFAOYSA-N- Molecular formula
- C24H20F4N2O2
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.14609053
Names & identifiers
- Preferred name
- 4-(4-fluorophenyl)-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- IUPAC
- 4-(4-fluorophenyl)-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- 4-(4-fluorophenyl)-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- Molecular formula
- C24H20F4N2O2
- Molecular weight
- 444.42
Names & synonyms
4-(4-fluorophenyl)-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide4-(4-fluorophenyl)-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideAN-919/40668671AB00109308-01428829-14-53-Quinolinecarboxamide, 4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
428829-14-5- PubChem CID
- 2900572
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 824
Physicochemical properties
- Boiling point
- 596.1 · 596.1±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…