ChemSpider 2D Image | 1-Methyl-5-(1-methyl-3-{[4-(2-quinolinyl)phenoxy]methyl}-1H-pyrazol-4-yl)-2(1H)-pyridinone | C26H22N4O2

1-Methyl-5-(1-methyl-3-{[4-(2-quinolinyl)phenoxy]methyl}-1H-pyrazol-4-yl)-2(1H)-pyridinone

  • Molecular FormulaC26H22N4O2
  • Average mass422.478 Da
  • Monoisotopic mass422.174286 Da
  • ChemSpider ID35035273

More details:

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

1-Méthyl-5-(1-méthyl-3-{[4-(2-quinoléinyl)phénoxy]méthyl}-1H-pyrazol-4-yl)-2(1H)-pyridinone [French] [ACD/IUPAC Name]
1-Methyl-5-(1-methyl-3-{[4-(2-quinolinyl)phenoxy]methyl}-1H-pyrazol-4-yl)-2(1H)-pyridinone [ACD/IUPAC Name]
1-Methyl-5-(1-Methyl-3-{[4-(Quinolin-2-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One
2(1H)-Pyridinone, 1-methyl-5-[1-methyl-3-[[4-(2-quinolinyl)phenoxy]methyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
5-(3-{[4-(2-Chinolinyl)phenoxy]methyl}-1-methyl-1H-pyrazol-4-yl)-1-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3SJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 190.49
ACD/KOC (pH 5.5): 1424.05
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.53
ACD/KOC (pH 7.4): 1671.06
Polar Surface Area: 60 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 341.3±7.0 cm3

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