ChemSpider 2D Image | 2,3-Diethoxy-N-[3-(4-ethyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C31H42N4O4

2,3-Diethoxy-N-[3-(4-ethyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID20245134

More details:

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

2,3-Diethoxy-N-[3-(4-ethyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
2,3-Diéthoxy-N-[3-(4-éthyl-1-pipérazinyl)propyl]-8-oxo-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
2,3-Diethoxy-N-[3-(4-ethyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide [ACD/IUPAC Name]
6H-Dibenzo[a,g]quinolizine-13-carboxamide, 2,3-diethoxy-N-[3-(4-ethyl-1-piperazinyl)propyl]-5,8,13,13a-tetrahydro-8-oxo- [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: 728.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 23.67
ACD/KOC (pH 7.4): 214.29
Polar Surface Area: 74 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 433.9±5.0 cm3

Click to predict properties on the Chemicalize site


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