ChemSpider 2D Image | 2-Methyl-2-{4-[3-(~2~H_3_)methyl-2-oxo-8-(3-quinolinyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile | C30H20D3N5O

2-Methyl-2-{4-[3-(2H3)methyl-2-oxo-8-(3-quinolinyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile

  • Molecular FormulaC30H20D3N5O
  • Average mass472.555 Da
  • Monoisotopic mass472.209076 Da
  • ChemSpider ID48062219

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{4-[8-(3-Chinolinyl)-3-(2H3)methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]chinolin-1-yl]phenyl}-2-methylpropannitril [German] [ACD/IUPAC Name]
2-Méthyl-2-{4-[3-(2H3)méthyl-2-oxo-8-(3-quinoléinyl)-2,3-dihydro-1H-imidazo[4,5-c]quinoléin-1-yl]phényl}propanenitrile [French] [ACD/IUPAC Name]
2-Methyl-2-{4-[3-(2H3)methyl-2-oxo-8-(3-quinolinyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile [ACD/IUPAC Name]
Benzeneacetonitrile, 4-[2,3-dihydro-3-(methyl-d3)-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-α,α-dimethyl- [ACD/Index Name]
1133206-74-2 [RN]
2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±35.7 °C
Index of Refraction: 1.705
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 96.85
ACD/KOC (pH 5.5): 496.15
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 770.20
ACD/KOC (pH 7.4): 3945.81
Polar Surface Area: 73 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 361.4±3.0 cm3

Click to predict properties on the Chemicalize site


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