ChemSpider 2D Image | 2-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methyl-2-phenyl-4-quinolinecarboxylate | C34H30N2O5

2-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methyl-2-phenyl-4-quinolinecarboxylate

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID4200455

More details:

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

2-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methyl-2-phenyl-4-quinolinecarboxylate [ACD/IUPAC Name]
2-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-3-methyl-2-phenyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Méthyl-2-phényl-4-quinoléinecarboxylate de 2-[1-(2,3-dihydro-1,4-benzodioxin-2-ylméthyl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 3-methyl-2-phenyl-, 2-[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.0±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 100363.87
ACD/KOC (pH 5.5): 132328.11
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 100408.73
ACD/KOC (pH 7.4): 132387.27
Polar Surface Area: 80 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 434.8±7.0 cm3

Click to predict properties on the Chemicalize site


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