ChemSpider 2D Image | 1-Methyl-3-(3-{[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy}phenyl)-1H-pyrrolo[3,2-b]quinoline | C25H18N6O

1-Methyl-3-(3-{[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy}phenyl)-1H-pyrrolo[3,2-b]quinoline

  • Molecular FormulaC25H18N6O
  • Average mass418.450 Da
  • Monoisotopic mass418.154205 Da
  • ChemSpider ID58108962

More details:

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

1H-Pyrrolo[3,2-b]quinoline, 1-methyl-3-[3-[[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy]phenyl]- [ACD/Index Name]
1-Methyl-3-(3-{[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy}phenyl)-1H-pyrrolo[3,2-b]chinolin [German] [ACD/IUPAC Name]
1-Méthyl-3-(3-{[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy}phényl)-1H-pyrrolo[3,2-b]quinoléine [French] [ACD/IUPAC Name]
1-Methyl-3-(3-{[4-(1H-pyrazol-4-yl)-2-pyrimidinyl]oxy}phenyl)-1H-pyrrolo[3,2-b]quinoline [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: 784.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 428.2±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 122.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 25.89
ACD/KOC (pH 5.5): 172.61
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 289.15
ACD/KOC (pH 7.4): 1928.06
Polar Surface Area: 82 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 303.6±7.0 cm3

Click to predict properties on the Chemicalize site


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