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Search term: YSFGCARYACLFDS-WIOPSUGQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C28H33N5O2

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

  • Molecular FormulaC28H33N5O2
  • Average mass471.594 Da
  • Monoisotopic mass471.263428 Da
  • ChemSpider ID23307336

  • 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-[3-(4-methyl-1-piperazinyl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-Methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL248393

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 9.26
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 98.26
ACD/KOC (pH 7.4): 645.90
Polar Surface Area: 74 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

Click to predict properties on the Chemicalize site


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