ChemSpider 2D Image | 5-{4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methyl-4(3H)-pyrimidinone | C28H22F2N4O4

5-{4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methyl-4(3H)-pyrimidinone

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID10032420

More details:






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

4(3H)-Pyrimidinone, 5-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-2-[(4-fluorophenyl)amino]-3-methyl- [ACD/Index Name]
5-{4-[(6,7-Dimethoxy-4-chinolinyl)oxy]-3-fluorphenyl}-2-[(4-fluorphenyl)amino]-3-methyl-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5-{4-[(6,7-Diméthoxy-4-quinoléinyl)oxy]-3-fluorophényl}-2-[(4-fluorophényl)amino]-3-méthyl-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
5-{4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methyl-4(3H)-pyrimidinone [ACD/IUPAC Name]
5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
5-(4-(6,7-Dimethoxyquinolin-4-yloxy)-3-fluorophenyl)-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one
MT4
pyrimidone, 50

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 632.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 792.28
ACD/KOC (pH 5.5): 3529.96
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1371.04
ACD/KOC (pH 7.4): 6108.60
Polar Surface Area: 85 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 385.0±7.0 cm3

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