ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinamine | C36H42N6O

2-(4-Ethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinamine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121567193

More details:

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

2-(4-Ethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-chinolinyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-N-[4-(1-pipéridinyl)phényl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinoléinyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]-6-[7-(1-pyrrolidinyl)-3,4-dihydro-1(2H)-quinolinyl]-4-pyrimidinamine [ACD/IUPAC Name]
4-Pyrimidinamine, 6-[3,4-dihydro-7-(1-pyrrolidinyl)-1(2H)-quinolinyl]-2-(4-ethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]- [ACD/Index 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: 736.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 4548.37
ACD/KOC (pH 5.5): 7514.50
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 41813.08
ACD/KOC (pH 7.4): 69080.65
Polar Surface Area: 57 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 476.6±3.0 cm3

Click to predict properties on the Chemicalize site


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