ChemSpider 2D Image | trans-4-[(8-Methoxy-1-methyl-1,2-dihydro-4-quinolinyl)amino]-N-{trans-4-[(1-methyl-4-piperidinyl)amino]cyclohexyl}cyclohexanecarboxamide | C30H47N5O2

trans-4-[(8-Methoxy-1-methyl-1,2-dihydro-4-quinolinyl)amino]-N-{trans-4-[(1-methyl-4-piperidinyl)amino]cyclohexyl}cyclohexanecarboxamide

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID26354077

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-[(1,2-dihydro-8-methoxy-1-methyl-4-quinolinyl)amino]-N-[trans-4-[(1-methyl-4-piperidinyl)amino]cyclohexyl]-, trans- [ACD/Index Name]
trans-4-[(8-Methoxy-1-methyl-1,2-dihydro-4-quinolinyl)amino]-N-{trans-4-[(1-methyl-4-piperidinyl)amino]cyclohexyl}cyclohexanecarboxamide [ACD/IUPAC Name]
trans-4-[(8-Méthoxy-1-méthyl-1,2-dihydro-4-quinoléinyl)amino]-N-{trans-4-[(1-méthyl-4-pipéridinyl)amino]cyclohexyl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.28
Polar Surface Area: 69 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 439.1±5.0 cm3

Click to predict properties on the Chemicalize site


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