ChemSpider 2D Image | 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxoisoquinoline-4-carboxylic acid | C21H18N2O4

3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxoisoquinoline-4-carboxylic acid

  • Molecular FormulaC21H18N2O4
  • Average mass362.379 Da
  • Monoisotopic mass362.126648 Da
  • ChemSpider ID21800505

More details:

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

1,2-Dihydro-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-4-isoquinolinecarboxylic acid
1119449-96-5 [RN]
3-(1H-Indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isochinolincarbonsäure [German] [ACD/IUPAC Name]
3-(1H-Indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-(1H-Indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxoisoquinoline-4-carboxylic acid
4-Isoquinolinecarboxylic acid, 1,2-dihydro-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo- [ACD/Index Name]
Acide 3-(1H-indol-3-yl)-2-(2-méthoxyéthyl)-1-oxo-1,2-dihydro-4-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
MFCD12027139 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 578.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.0±3.0 kJ/mol
    Flash Point: 303.5±30.1 °C
    Index of Refraction: 1.690
    Molar Refractivity: 100.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.00
    ACD/BCF (pH 5.5): 110.85
    ACD/KOC (pH 5.5): 993.76
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 18.82
    ACD/KOC (pH 7.4): 168.76
    Polar Surface Area: 83 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 65.7±3.0 dyne/cm
    Molar Volume: 262.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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