ChemSpider 2D Image | 5-{[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino}-1-methyl-6-oxopyridine-2-carbonitrile | C18H15ClN4O2

5-{[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino}-1-methyl-6-oxopyridine-2-carbonitrile

  • Molecular FormulaC18H15ClN4O2
  • Average mass354.790 Da
  • Monoisotopic mass354.088348 Da
  • ChemSpider ID72380144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1887014-12-1 [RN]
2-Pyridinecarbonitrile, 5-[[(1S)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl]amino]-1,6-dihydro-1-methyl-6-oxo- [ACD/Index Name]
5-{[(1S)-1-(6-Chlor-2-oxo-1,2-dihydro-3-chinolinyl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydro-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{[(1S)-1-(6-Chloro-2-oxo-1,2-dihydro-3-quinoléinyl)éthyl]amino}-1-méthyl-6-oxo-1,6-dihydro-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
5-{[(1S)-1-(6-Chloro-2-oxo-1,2-dihydro-3-quinolinyl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydro-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
5-{[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino}-1-methyl-6-oxopyridine-2-carbonitrile
(S)-5-((1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
5-[[(1S)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl]amino]-1,6-dihydro-1-methyl-6-oxo-2-pyridinecarbonitrile
5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.83
ACD/KOC (pH 5.5): 216.18
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 216.01
Polar Surface Area: 85 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 248.9±5.0 cm3

Click to predict properties on the Chemicalize site


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