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Search term: HJLOLWXGFOKVSM-HKBQPEDESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-[(1R)-2-{[2-(4-{[6-(2-Amino-2-methylpropoxy)-3-biphenylyl]amino}phenyl)ethyl]amino}-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone | C35H38N4O4

5-[(1R)-2-{[2-(4-{[6-(2-Amino-2-methylpropoxy)-3-biphenylyl]amino}phenyl)ethyl]amino}-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone

  • Molecular FormulaC35H38N4O4
  • Average mass578.701 Da
  • Monoisotopic mass578.289307 Da
  • ChemSpider ID34245838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 5-[(1R)-2-[[2-[4-[[6-(2-amino-2-methylpropoxy)[1,1'-biphenyl]-3-yl]amino]phenyl]ethyl]amino]-1-hydroxyethyl]-8-hydroxy- [ACD/Index Name]
5-[(1R)-2-{[2-(4-{[6-(2-Amino-2-methylpropoxy)-3-biphenylyl]amino}phenyl)ethyl]amino}-1-hydroxyethyl]-8-hydroxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
5-[(1R)-2-{[2-(4-{[6-(2-Amino-2-méthylpropoxy)-3-biphénylyl]amino}phényl)éthyl]amino}-1-hydroxyéthyl]-8-hydroxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-[(1R)-2-{[2-(4-{[6-(2-Amino-2-methylpropoxy)-3-biphenylyl]amino}phenyl)ethyl]amino}-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone [ACD/IUPAC 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: 828.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 462.7±3.0 cm3

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