ChemSpider 2D Image | 3-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,4(1H,3H)-quinazolinedione | C32H33N5O4

3-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID13129123

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-[3-(3,4-dihydro-2(1H)-isoquinolinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]- [ACD/Index Name]
3-[3-(3,4-Dihydro-2(1H)-isochinolinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-[3-(3,4-Dihydro-2(1H)-isoquinoléinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phényl-1-pipérazinyl)éthyl]-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
3-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-oxopropyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-1-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinazoline-2,4-dione
899938-98-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 805.8±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.2±3.0 kJ/mol
    Flash Point: 363.6±29.4 °C
    Index of Refraction: 1.640
    Molar Refractivity: 152.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 3.53
    ACD/BCF (pH 5.5): 284.88
    ACD/KOC (pH 5.5): 1987.08
    ACD/LogD (pH 7.4): 3.53
    ACD/BCF (pH 7.4): 285.88
    ACD/KOC (pH 7.4): 1994.04
    Polar Surface Area: 84 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 59.3±3.0 dyne/cm
    Molar Volume: 422.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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