ChemSpider 2D Image | 7-[4-(4-Morpholinylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C30H28N4O

7-[4-(4-Morpholinylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile

  • Molecular FormulaC30H28N4O
  • Average mass460.569 Da
  • Monoisotopic mass460.226318 Da
  • ChemSpider ID23307343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 7-[4-(4-morpholinylmethyl)phenyl]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
7-[4-(4-Morpholinylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
7-[4-(4-Morpholinylméthyl)phényl]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
7-[4-(4-Morpholinylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
7-[4-(morpholin-4-ylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL399438
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399438/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 318.83
ACD/KOC (pH 5.5): 1154.77
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2615.36
ACD/KOC (pH 7.4): 9472.71
Polar Surface Area: 61 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 357.7±5.0 cm3

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