ChemSpider 2D Image | 1-{2-(3-Methoxyphenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl}-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline | C31H30N8O

1-{2-(3-Methoxyphenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl}-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

  • Molecular FormulaC31H30N8O
  • Average mass530.623 Da
  • Monoisotopic mass530.254272 Da
  • ChemSpider ID121959567

More details:

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

1-{2-(3-Methoxyphenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl}-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]chinolin [German] [ACD/IUPAC Name]
1-{2-(3-Méthoxyphényl)-6-[4-(2-pyrimidinyl)-1-pipérazinyl]-4-pyrimidinyl}-6-méthyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoléine [French] [ACD/IUPAC Name]
1-{2-(3-Methoxyphenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl}-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]quinoline, 2,3-dihydro-1-[2-(3-methoxyphenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl]-6-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±35.7 °C
Index of Refraction: 1.683
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 29.22
ACD/KOC (pH 5.5): 123.87
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 993.48
ACD/KOC (pH 7.4): 4211.37
Polar Surface Area: 83 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 407.1±3.0 cm3

Click to predict properties on the Chemicalize site


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