ChemSpider 2D Image | Ethyl 4-({2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}amino)benzo[h]quinoline-3-carboxylate | C28H28N2O7

Ethyl 4-({2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}amino)benzo[h]quinoline-3-carboxylate

  • Molecular FormulaC28H28N2O7
  • Average mass504.531 Da
  • Monoisotopic mass504.189636 Da
  • ChemSpider ID1277715

More details:

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

4-({2-[(3,4,5-Triméthoxybenzoyl)oxy]éthyl}amino)benzo[h]quinoléine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[h]quinoline-3-carboxylic acid, 4-[[2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}amino)benzo[h]quinoline-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-({2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}amino)benzo[h]chinolin-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-((2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)amino)benzo[h]quinoline-3-carboxylate
ethyl 4-((2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)imino)-1,4-dihydrobenzo[h]quinoline-3-carboxylate
ethyl 4-{[2-(3,4,5-trimethoxyphenylcarbonyloxy)ethyl]amino}benzo[h]quinoline-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 10813.44
ACD/KOC (pH 5.5): 23825.65
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16377.90
ACD/KOC (pH 7.4): 36086.04
Polar Surface Area: 105 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 395.5±3.0 cm3

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