N-(2-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
406183-35-5- Standard SMILES
CC1=C(C(=O)Nc2ccccc2F)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1- InChIKey
VGJRRHQWCQXACQ-UHFFFAOYSA-N- Molecular formula
- C24H24FN3O2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.18525518
Names & identifiers
- Preferred name
- N-(2-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
- English name
- N-(2-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- Molecular formula
- C24H24FN3O2
- Molecular weight
- 405.47
Names & synonyms
N-(2-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDEOprea1_196771Oprea1_355040AKOS001658572AKOS021996877AN-919/40669029SR-01000472230SR-01000472230-13-Quinolinecarboxamide, N-(2-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-
Database identifiers
- CAS
406183-35-5- PubChem CID
- 3866321
- EC Number
- 132-891-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 785
Physicochemical properties
- Boiling point
- 608.303 · 608.303±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.275 · 1.275±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.819 · 12.819±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…