ChemSpider 2D Image | 1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-quinolinyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide | C36H37N7O4

1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-quinolinyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID23299768

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxamide, 1-methyl-4-[[[1-methyl-4-[[4-[(E)-2-(2-quinolinyl)ethenyl]benzoyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
1-Méthyl-4-({[1-méthyl-4-({4-[(E)-2-(2-quinoléinyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)éthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-quinolinyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
1-methyl-4-({[1-methyl-4-({4-[(E)-2-(quinolin-2-yl)ethenyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
4-({4-[(E)-2-(2-Chinolinyl)vinyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
1-methyl-N-[1-methyl-5-({[2-(4-morpholinyl)ethyl]amino}carbonyl)-1H-pyrrol-3-yl]-4-({4-[(E)-2-(2-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrole-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 180.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 9.98
ACD/KOC (pH 5.5): 80.26
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 143.71
ACD/KOC (pH 7.4): 1155.12
Polar Surface Area: 123 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 487.5±7.0 cm3

Click to predict properties on the Chemicalize site


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