ChemSpider 2D Image | 1-Ethyl-6-methyl-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone | C21H16F3N3O2

1-Ethyl-6-methyl-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone

  • Molecular FormulaC21H16F3N3O2
  • Average mass399.366 Da
  • Monoisotopic mass399.119446 Da
  • ChemSpider ID25981024

More details:

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

1-Ethyl-6-methyl-3-{3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-chinolinon [German] [ACD/IUPAC Name]
1-Éthyl-6-méthyl-3-{3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
1-Ethyl-6-methyl-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 1-ethyl-6-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
1260688-51-4 [RN]
1-ethyl-6-methyl-3-(3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)quinolin-4(1H)-one
1-Ethyl-6-methyl-3-[3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-yl]-1H-quinolin-4-one
1-ethyl-6-methyl-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydroquinolin-4-one
1-ethyl-6-methyl-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}quinolin-4(1H)-one
MFCD20735918

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2546.46
ACD/KOC (pH 5.5): 9540.11
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2546.69
ACD/KOC (pH 7.4): 9540.98
Polar Surface Area: 59 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


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