ChemSpider 2D Image | 3-(2-Amino-6-quinazolinyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-2(1H)-pyridinone | C21H15F3N4O

3-(2-Amino-6-quinazolinyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-2(1H)-pyridinone

  • Molecular FormulaC21H15F3N4O
  • Average mass396.365 Da
  • Monoisotopic mass396.119781 Da
  • ChemSpider ID22376730

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Pyridinone, 3-(2-amino-6-quinazolinyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-(2-Amino-6-chinazolinyl)-4-methyl-1-[3-(trifluormethyl)phenyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3-(2-Amino-6-quinazolinyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-2(1H)-pyridinone [ACD/IUPAC Name]
3-(2-Amino-6-quinazolinyl)-4-méthyl-1-[3-(trifluorométhyl)phényl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridin-2-one
3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
C52
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504805/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 627.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 276.12
ACD/KOC (pH 5.5): 1813.26
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.21
ACD/KOC (pH 7.4): 2312.98
Polar Surface Area: 72 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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