ChemSpider 2D Image | 1-[4-(3-{[1-(2-Quinolinyl)-3-azetidinyl]oxy}-2-quinoxalinyl)-1-piperidinyl]ethanone | C27H27N5O2

1-[4-(3-{[1-(2-Quinolinyl)-3-azetidinyl]oxy}-2-quinoxalinyl)-1-piperidinyl]ethanone

  • Molecular FormulaC27H27N5O2
  • Average mass453.536 Da
  • Monoisotopic mass453.216461 Da
  • ChemSpider ID34951410

More details:

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

1-[4-(3-{[1-(2-Chinolinyl)-3-azetidinyl]oxy}-2-chinoxalinyl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(3-{[1-(2-Quinoléinyl)-3-azétidinyl]oxy}-2-quinoxalinyl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(3-{[1-(2-Quinolinyl)-3-azetidinyl]oxy}-2-quinoxalinyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
1-[4-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}quinoxalin-2-Yl)piperidin-1-Yl]ethanone
Ethanone, 1-[4-[3-[[1-(2-quinolinyl)-3-azetidinyl]oxy]-2-quinoxalinyl]-1-piperidinyl]- [ACD/Index Name]
35D
US8497265, 677

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 451.53
ACD/KOC (pH 5.5): 2587.75
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 568.78
ACD/KOC (pH 7.4): 3259.71
Polar Surface Area: 71 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 347.1±3.0 cm3

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