ChemSpider 2D Image | 6-(Dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isoquinolinone | C34H33FN6O5

6-(Dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isoquinolinone

  • Molecular FormulaC34H33FN6O5
  • Average mass624.661 Da
  • Monoisotopic mass624.249634 Da
  • ChemSpider ID35035242

More details:

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

1(2H)-Isoquinolinone, 2-[3-[1,6-dihydro-1-methyl-5-[[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-6-(dimethylamino)-8-fluoro- [ACD/Index Name]
6-(Dimethylamino)-8-fluor-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-(Diméthylamino)-8-fluoro-2-[2-(hydroxyméthyl)-3-(1-méthyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phényl]-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-(Dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-(Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(Morpholin-4-Ylcarbonyl)pyridin-2-Yl]amino}-6-Oxo-1,6-Dihydropyridin-3-Yl)phenyl]isoquinolin-1(2h)-One
3OV
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3358339/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 939.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.2±3.0 kJ/mol
Flash Point: 522.0±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 170.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 131.72
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 134.49
Polar Surface Area: 119 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

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