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ChemSpider 2D Image | 6-[4-(Aminomethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C26H22N4

6-[4-(Aminomethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile

  • Molecular FormulaC26H22N4
  • Average mass390.480 Da
  • Monoisotopic mass390.184448 Da
  • ChemSpider ID23307340

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 6-[4-(aminomethyl)phenyl]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-[4-(Aminomethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-[4-(Aminométhyl)phényl]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-[4-(Aminomethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-[4-(aminomethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL245800

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 16.02
ACD/KOC (pH 7.4): 84.79
Polar Surface Area: 75 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

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