ChemSpider 2D Image | 1-(3-chlorophenyl)-1-oxopropan-2-yl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate | C32H27ClN2O3

1-(3-chlorophenyl)-1-oxopropan-2-yl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID4405092

More details:

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

1-(3-Chlorophenyl)-1-oxo-2-propanyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-methyl-4-quinolinecarboxylate [ACD/IUPAC Name]
1-(3-chlorophenyl)-1-oxopropan-2-yl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate
1-(3-chlorophenyl)-1-oxopropan-2-yl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate
1-(3-Chlorphenyl)-1-oxo-2-propanyl-2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-methyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
2-[4-(2,5-Diméthyl-1H-pyrrol-1-yl)phényl]-6-méthyl-4-quinoléinecarboxylate de 1-(3-chlorophényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-methyl-, 2-(3-chlorophenyl)-1-methyl-2-oxoethyl ester [ACD/Index Name]
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate
1-(3-chlorophenyl)-1-oxopropan-2-yl 2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-6-methylquinoline-4-carboxylate
2-(3-chlorophenyl)-1-methyl-2-oxoethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate
2-[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-6-methyl-quinoline-4-carboxylic acid 2-(3-chloro-phenyl)-1-methyl-2-oxo-ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 720.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.3±3.0 kJ/mol
    Flash Point: 389.7±32.9 °C
    Index of Refraction: 1.627
    Molar Refractivity: 151.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.02
    ACD/LogD (pH 5.5): 7.86
    ACD/BCF (pH 5.5): 554167.31
    ACD/KOC (pH 5.5): 449644.44
    ACD/LogD (pH 7.4): 7.86
    ACD/BCF (pH 7.4): 554167.31
    ACD/KOC (pH 7.4): 449644.44
    Polar Surface Area: 61 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 44.0±7.0 dyne/cm
    Molar Volume: 426.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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