ChemSpider 2D Image | N-{cis-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-4-quinolinecarboxamide | C28H30N4O

N-{cis-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-4-quinolinecarboxamide

  • Molecular FormulaC28H30N4O
  • Average mass438.564 Da
  • Monoisotopic mass438.241974 Da
  • ChemSpider ID57643244

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Quinolinecarboxamide, N-[cis-4-[2-(6-cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]- [ACD/Index Name]
N-{cis-4-[2-(6-Cyan-3,4-dihydro-2(1H)-isochinolinyl)ethyl]cyclohexyl}-4-chinolincarboxamid [German] [ACD/IUPAC Name]
N-{cis-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]cyclohexyl}-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-{cis-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-4-quinolinecarboxamide [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: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 17.27
ACD/KOC (pH 5.5): 65.29
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 830.04
ACD/KOC (pH 7.4): 3137.06
Polar Surface Area: 69 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 355.0±5.0 cm3

Click to predict properties on the Chemicalize site


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