ChemSpider 2D Image | 2-Isopropoxyethyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C32H37NO8

2-Isopropoxyethyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID2391983

More details:

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

2-Isopropoxyethyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Isopropoxyethyl-7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-, 2-(1-methylethoxy)ethyl ester [ACD/Index Name]
7-(3,4-Diméthoxyphényl)-4-[4-(méthoxycarbonyl)phényl]-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-isopropoxyéthyle [French] [ACD/IUPAC Name]
2-isopropoxyethyl 7-(3,4-dimethoxyphenyl)-4-(4-(methoxycarbonyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-PROPAN-2-YLOXYETHYL 7-(3,4-DIMETHOXYPHENYL)-4-(4-METHOXYCARBONYLPHENYL)-2-METHYL-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE
494194-03-5 [RN]
PKRKTNPKYXZVSU-UHFFFAOYSA-N

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

AG-690/40753052 [DBID]
BAS 02226058 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 683.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 367.4±31.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 151.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 4.52
    ACD/BCF (pH 5.5): 1608.26
    ACD/KOC (pH 5.5): 6866.01
    ACD/LogD (pH 7.4): 4.52
    ACD/BCF (pH 7.4): 1608.28
    ACD/KOC (pH 7.4): 6866.13
    Polar Surface Area: 109 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 52.2±5.0 dyne/cm
    Molar Volume: 451.8±5.0 cm3

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