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Search term: NDZOHKAXFDFNIC-WIOPSUGQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(3-pyridinyl)propoxy]-3-quinolinecarbonitrile | C28H26N4O2

6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(3-pyridinyl)propoxy]-3-quinolinecarbonitrile

  • Molecular FormulaC28H26N4O2
  • Average mass450.532 Da
  • Monoisotopic mass450.205566 Da
  • ChemSpider ID23307333

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 6-methoxy-4-[[(1R,2S)-2-phenylcyclopropyl]amino]-7-[3-(3-pyridinyl)propoxy]- [ACD/Index Name]
6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(3-pyridinyl)propoxy]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-7-[3-(3-pyridinyl)propoxy]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(3-pyridinyl)propoxy]-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-7-[3-(pyridin-3-yl)propoxy]quinoline-3-carbonitrile
6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(3-(pyridin-3-yl)propoxy)quinoline-3-carbonitrile
CHEMBL248391

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 485.45
ACD/KOC (pH 5.5): 2251.50
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1183.96
ACD/KOC (pH 7.4): 5491.17
Polar Surface Area: 80 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 353.0±5.0 cm3

Click to predict properties on the Chemicalize site


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