Found 1 result

Search term: SIMNHPGTUXYIRW-NZQKXSOJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-Methoxy-6-[2-(4-morpholinyl)ethoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C26H28N4O3

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

  • Molecular FormulaC26H28N4O3
  • Average mass444.526 Da
  • Monoisotopic mass444.216156 Da
  • ChemSpider ID23307330

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 7-methoxy-6-[2-(4-morpholinyl)ethoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
7-Methoxy-6-[2-(4-morpholinyl)ethoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
7-Méthoxy-6-[2-(4-morpholinyl)éthoxy]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
7-Methoxy-6-[2-(4-morpholinyl)ethoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
7-methoxy-6-[2-(morpholin-4-yl)ethoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL401054
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401054/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 34.18
ACD/KOC (pH 5.5): 264.56
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 189.22
ACD/KOC (pH 7.4): 1464.47
Polar Surface Area: 80 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 343.4±5.0 cm3

Click to predict properties on the Chemicalize site


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