ChemSpider 2D Image | 7-[(5-Aminopentyl)oxy]-N~4~-(1-benzyl-4-piperidinyl)-N~2~-[3-(dimethylamino)propyl]-6-methoxy-2,4-quinazolinediamine | C31H47N7O2

7-[(5-Aminopentyl)oxy]-N4-(1-benzyl-4-piperidinyl)-N2-[3-(dimethylamino)propyl]-6-methoxy-2,4-quinazolinediamine

  • Molecular FormulaC31H47N7O2
  • Average mass549.751 Da
  • Monoisotopic mass549.379150 Da
  • ChemSpider ID25057539

More details:

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

2,4-Quinazolinediamine, 7-[(5-aminopentyl)oxy]-N2-[3-(dimethylamino)propyl]-6-methoxy-N4-[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]
7-[(5-Aminopentyl)oxy]-N4-(1-benzyl-4-piperidinyl)-N2-[3-(dimethylamino)propyl]-6-methoxy-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
7-[(5-Aminopentyl)oxy]-N4-(1-benzyl-4-piperidinyl)-N2-[3-(dimethylamino)propyl]-6-methoxy-2,4-quinazolinediamine [ACD/IUPAC Name]
7-[(5-Aminopentyl)oxy]-N4-(1-benzyl-4-pipéridinyl)-N2-[3-(diméthylamino)propyl]-6-méthoxy-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
7-[(5-Aminopentyl)oxy]-N4-(1-Benzylpiperidin-4-Yl)-N2-[3-(Dimethylamino)propyl]-6-Methoxyquinazoline-2,4-Diamine
E67

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 710.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.4±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 471.8±3.0 cm3

Click to predict properties on the Chemicalize site


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