ChemSpider 2D Image | 3-({[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]amino}methyl)-7-fluoro-1-isobutyl-2(1H)-quinolinone | C22H29FN4O

3-({[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]amino}methyl)-7-fluoro-1-isobutyl-2(1H)-quinolinone

  • Molecular FormulaC22H29FN4O
  • Average mass384.490 Da
  • Monoisotopic mass384.232544 Da
  • ChemSpider ID22135797

More details:

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

2(1H)-Quinolinone, 3-[[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]amino]methyl]-7-fluoro-1-(2-methylpropyl)- [ACD/Index Name]
3-({[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]amino}methyl)-7-fluor-1-isobutyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({[3-(3,5-Diméthyl-1H-pyrazol-1-yl)propyl]amino}méthyl)-7-fluoro-1-isobutyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]amino}methyl)-7-fluoro-1-isobutyl-2(1H)-quinolinone [ACD/IUPAC 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: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 36.76
ACD/KOC (pH 7.4): 289.61
Polar Surface Area: 50 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 328.8±7.0 cm3

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