ChemSpider 2D Image | 3-Amino-5-({6-[2-{[(1-isobutyl-2-piperidinyl)methyl]amino}-6-(trifluoromethyl)-3-pyridinyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone | C28H31F3N8O2

3-Amino-5-({6-[2-{[(1-isobutyl-2-piperidinyl)methyl]amino}-6-(trifluoromethyl)-3-pyridinyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone

  • Molecular FormulaC28H31F3N8O2
  • Average mass568.593 Da
  • Monoisotopic mass568.252197 Da
  • ChemSpider ID24686526

More details:

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

2(1H)-Quinoxalinone, 3-amino-5-[[6-[2-[[[1-(2-methylpropyl)-2-piperidinyl]methyl]amino]-6-(trifluoromethyl)-3-pyridinyl]-4-pyrimidinyl]oxy]- [ACD/Index Name]
3-Amino-5-({6-[2-{[(1-isobutyl-2-piperidinyl)methyl]amino}-6-(trifluormethyl)-3-pyridinyl]-4-pyrimidinyl}oxy)-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
3-Amino-5-({6-[2-{[(1-isobutyl-2-piperidinyl)methyl]amino}-6-(trifluoromethyl)-3-pyridinyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone [ACD/IUPAC Name]
3-Amino-5-({6-[2-{[(1-isobutyl-2-pipéridinyl)méthyl]amino}-6-(trifluorométhyl)-3-pyridinyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone [French] [ACD/IUPAC Name]
3-Amino-5-(6-(2-((1-isobutylpiperidin-2-yl)methylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 4.83
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 9.70
ACD/KOC (pH 7.4): 45.61
Polar Surface Area: 131 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 391.8±7.0 cm3

Click to predict properties on the Chemicalize site


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