ChemSpider 2D Image | 3-(6,7-Dihydroxy-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-methyl-2(1H)-quinolinone | C22H14N4O4

3-(6,7-Dihydroxy-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-methyl-2(1H)-quinolinone

  • Molecular FormulaC22H14N4O4
  • Average mass398.371 Da
  • Monoisotopic mass398.101501 Da
  • ChemSpider ID32513332

More details:

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

2(1H)-Quinolinone, 3-(6,7-dihydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-methyl- [ACD/Index Name]
3-(6,7-Dihydroxy-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-(6,7-Dihydroxy-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-(6,7-Dihydroxy-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-7-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
1630899-34-1 [RN]
4-(2-hydroxy-7-methylquinolin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridine-6,7-diol

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 813.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 122.3±3.0 kJ/mol
    Flash Point: 445.5±34.3 °C
    Index of Refraction: 1.855
    Molar Refractivity: 111.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.29
    ACD/KOC (pH 5.5): 453.85
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 21.42
    ACD/KOC (pH 7.4): 267.89
    Polar Surface Area: 124 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 96.3±3.0 dyne/cm
    Molar Volume: 247.3±3.0 cm3

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