ChemSpider 2D Image | 2-(6,7-Dimethoxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C27H40N4O5

2-(6,7-Dimethoxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID58174260

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(6,7-Dimethoxy-2-methyl-4-oxo-3(4H)-chinazolinyl)-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-(6,7-Dimethoxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-(6,7-Diméthoxy-2-méthyl-4-oxo-3(4H)-quinazolinyl)-N-(3-méthoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
3(4H)-Quinazolineacetamide, 6,7-dimethoxy-N-(3-methoxypropyl)-2-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-4-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 84 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 400.3±7.0 cm3

Click to predict properties on the Chemicalize site


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