ChemSpider 2D Image | N-[4-Methyl-3-({2-[4-(2-methyl-2-propanyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide | C36H42N6O

N-[4-Methyl-3-({2-[4-(2-methyl-2-propanyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121569431

More details:

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

Acetamide, N-[3-[[6-[3,4-dihydro-7-(1-pyrrolidinyl)-1(2H)-quinolinyl]-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]amino]-4-methylphenyl]- [ACD/Index Name]
N-[4-Methyl-3-({2-[4-(2-methyl-2-propanyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-chinolinyl]-4-pyrimidinyl}amino)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[4-Méthyl-3-({2-[4-(2-méthyl-2-propanyl)phényl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinoléinyl]-4-pyrimidinyl}amino)phényl]acétamide [French] [ACD/IUPAC Name]
N-[4-Methyl-3-({2-[4-(2-methyl-2-propanyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 12755.07
ACD/KOC (pH 5.5): 16709.31
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 94695.08
ACD/KOC (pH 7.4): 124051.82
Polar Surface Area: 73 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

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