ChemSpider 2D Image | 3-{[3-Carbamoyl-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino}benzoic acid | C23H19N5O5

3-{[3-Carbamoyl-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino}benzoic acid

  • Molecular FormulaC23H19N5O5
  • Average mass445.427 Da
  • Monoisotopic mass445.138611 Da
  • ChemSpider ID35035092

More details:

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

3-{[3-Carbamoyl-7-(2,4-dimethoxy-5-pyrimidinyl)-4-chinolinyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[3-Carbamoyl-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino}benzoic acid [ACD/IUPAC Name]
3-{[3-Carbamoyl-7-(2,4-Dimethoxypyrimidin-5-Yl)quinolin-4-Yl]amino}benzoic Acid
Acide 3-{[3-carbamoyl-7-(2,4-diméthoxy-5-pyrimidinyl)-4-quinoléinyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(aminocarbonyl)-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino]- [ACD/Index Name]
38Q

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.3±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 8.52
ACD/KOC (pH 5.5): 71.18
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 150 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 313.8±3.0 cm3

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