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Search term: QBOYVPOZZYKQRT-NZQKXSOJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Methoxy-7-[(1-methyl-4-piperidinyl)oxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C26H28N4O2

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

  • Molecular FormulaC26H28N4O2
  • Average mass428.526 Da
  • Monoisotopic mass428.221222 Da
  • ChemSpider ID23307337

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 6-methoxy-7-[(1-methyl-4-piperidinyl)oxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-Methoxy-7-[(1-methyl-4-piperidinyl)oxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-7-[(1-méthyl-4-pipéridinyl)oxy]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-7-[(1-methyl-4-piperidinyl)oxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-7-[(1-methylpiperidin-4-yl)oxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL245798

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 15.84
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 180.87
ACD/KOC (pH 7.4): 948.47
Polar Surface Area: 70 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

Click to predict properties on the Chemicalize site


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