ChemSpider 2D Image | ANLOTINIB | C23H22FN3O3


  • Molecular FormulaC23H22FN3O3
  • Average mass407.438 Da
  • Monoisotopic mass407.164520 Da
  • ChemSpider ID45743493

More details:

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

1-[({4-[(4-Fluor-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-chinolinyl}oxy)methyl]cyclopropanamin [German] [ACD/IUPAC Name]
1-[({4-[(4-Fluoro-2-méthyl-1H-indol-5-yl)oxy]-6-méthoxy-7-quinoléinyl}oxy)méthyl]cyclopropanamine [French] [ACD/IUPAC Name]
1-[({4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-quinolinyl}oxy)methyl]cyclopropanamine [ACD/IUPAC Name]
1058156-90-3 [RN]
Cyclopropanamine, 1-[[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-quinolinyl]oxy]methyl]- [ACD/Index Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anlotinib is a EGFR inhibitor extracted from patent 2015185012 A1, compound 1?which can be used to treat non-small cell lung cancer. MedChem Express HY-19716
      EGFR MedChem Express HY-19716
      JAK/STAT Signaling MedChem Express HY-19716
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-19716

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.32
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 64.26
ACD/KOC (pH 7.4): 491.61
Polar Surface Area: 82 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 303.6±3.0 cm3

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