1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

  • Description:
  • Formula: C28H24FN3O5
  • Molar mass: 501.5 g mol-1
  • InChI Key: ONIQOQHATWINJY-UHFFFAOYSA-N
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Identifiers (22)

  • Standard InChI: InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34) (Source: PubChem)
  • IUPAC Name: 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (Source: PubChem)
  • PubChem CID: 25102847 (Source: PubChem)
  • SMILES String: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F (Source: PubChem)
  • Connectivity SMILES string: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F (Source: PubChem)
  • Standard InChIKey: ONIQOQHATWINJY-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 849217-68-1 (Source: PubChem)
  • ChEBI ID: CHEBI:72317 (Source: PubChem)
  • ChEMBL ID: CHEMBL2105717 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID40156459 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID10233968 (Source: PubChem)
  • Wikidata ID: Q795057 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX07 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Cabozantinib (Source: ChEMBL)
  • British National Formulary: Cabozantinib (Source: ChEMBL)
  • Connectivity SMILES string: COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC (Source: ChEMBL)
  • International Nonproprietary Name: Cabozantinib (Source: ChEMBL)
  • Merck Index Name: Cabozantinib (Source: ChEMBL)
  • Preferred Name: CABOZANTINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34) (Source: ChEMBL)
  • Standard InChIKey: ONIQOQHATWINJY-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Cabozantinib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (10)

    Data (39)

  • Thermodynamic parameters: 5.4 (Source: PubChem)
  • Surface parameters: 37 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 795 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 98.8 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 5.4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 501.16999904 Da (Source: PubChem)
  • Molecule statistics: 37 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 795 (Source: PubChem)
  • Stuctural analysis: 383.6 (Source: PubChem)
  • Mass parameters: 501.5 g/mol (Source: PubChem)
  • Mass parameters: 501.16999904 Da (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 98.8 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 5.54 (Source: ChEMBL)
  • Molecule statistics: 37 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 501.51 g/mol (Source: ChEMBL)
  • Mass parameters: 501.51 g/mol (Source: ChEMBL)
  • Molecule statistics: -0.76 (Source: ChEMBL)
  • Molecule statistics: 98.78 (Source: ChEMBL)
  • Molecule statistics: 0.31 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)

    • Sources: PubChem (27) ChEMBL (12)

    Information (7)

  • Chemical formula: C28H24FN3O5 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C28H24FN3O5 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)