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Search term: VUQMYHHPJSYQNN-XUZZJYLKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-(Benzyloxy)-7-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C27H23N3O2

6-(Benzyloxy)-7-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile

  • Molecular FormulaC27H23N3O2
  • Average mass421.490 Da
  • Monoisotopic mass421.179016 Da
  • ChemSpider ID23307329

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 7-methoxy-4-[[(1R,2S)-2-phenylcyclopropyl]amino]-6-(phenylmethoxy)- [ACD/Index Name]
6-(Benzyloxy)-7-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-(Benzyloxy)-7-méthoxy-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-(Benzyloxy)-7-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-(benzyloxy)-7-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL248220

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.5±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1996.14
ACD/KOC (pH 5.5): 7208.83
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2881.41
ACD/KOC (pH 7.4): 10405.90
Polar Surface Area: 67 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 327.9±5.0 cm3

Click to predict properties on the Chemicalize site


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