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

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

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID10031760

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-fluoro-2-methylphenyl)amino]- [ACD/Index Name]
5-{4-[(6,7-Dimethoxy-4-chinolinyl)oxy]-3-fluorphenyl}-2-[(4-fluor-2-methylphenyl)amino]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5-{4-[(6,7-Diméthoxy-4-quinoléinyl)oxy]-3-fluorophényl}-2-[(4-fluoro-2-méthylphényl)amino]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
5-{4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl}-2-[(4-fluoro-2-methylphenyl)amino]-4(3H)-pyrimidinone [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1057.86
ACD/KOC (pH 5.5): 4341.24
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1624.32
ACD/KOC (pH 7.4): 6665.87
Polar Surface Area: 94 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 378.9±7.0 cm3

Click to predict properties on the Chemicalize site


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