ChemSpider 2D Image | 2-Isopropoxyethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H32N2O7

2-Isopropoxyethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID2875260

More details:

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

2-Isopropoxyethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Isopropoxyethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-Isopropoxyethyl-7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-, 2-(1-methylethoxy)ethyl ester [ACD/Index Name]
7-(2-Méthoxyphényl)-2-méthyl-4-(4-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-isopropoxyéthyle [French] [ACD/IUPAC Name]
2-(methylethoxy)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
7-(2-Methoxy-phenyl)-2-methyl-4-(4-nitro-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-isopropoxy-ethyl ester

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

A3050/0128819 [DBID]
EU-0049653 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2168.83
ACD/KOC (pH 5.5): 8504.82
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2168.86
ACD/KOC (pH 7.4): 8504.94
Polar Surface Area: 120 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

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