6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

  • Description:
  • Formula: C21H19N3O5
  • Molar mass: 393.4 g mol-1
  • InChI Key: BALLNEJQLSTPIO-UHFFFAOYSA-N
6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

Identifiers (20)

  • Standard InChI: InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25) (Source: PubChem)
  • IUPAC Name: 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (Source: PubChem)
  • PubChem CID: 44480399 (Source: PubChem)
  • SMILES String: CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC (Source: PubChem)
  • Connectivity SMILES string: CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC (Source: PubChem)
  • Standard InChIKey: BALLNEJQLSTPIO-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1194506-26-7 (Source: PubChem)
  • ChEBI ID: CHEBI:229221 (Source: PubChem)
  • ChEMBL ID: CHEMBL4303214 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID201358935 (Source: PubChem)
  • Wikidata ID: Q27259271 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EK04 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Fruquintinib (Source: ChEMBL)
  • Connectivity SMILES string: CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12 (Source: ChEMBL)
  • European Medicines Agency Name: Fruquintinib (Source: ChEMBL)
  • International Nonproprietary Name: Fruquintinib (Source: ChEMBL)
  • Preferred Name: FRUQUINTINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25) (Source: ChEMBL)
  • Standard InChIKey: BALLNEJQLSTPIO-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Fruquintinib (Source: ChEMBL)

    • Sources: PubChem (11) ChEMBL (9)

    Data (40)

  • Mass parameters: 393.13247072 (Source: PubChem)
  • Surface parameters: 95.7 (Source: PubChem)
  • Thermodynamic parameters: 3.4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 29 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Stuctural analysis: 579 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 393.13247072 Da (Source: PubChem)
  • Molecule statistics: 29 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 579 (Source: PubChem)
  • Stuctural analysis: 295.8 (Source: PubChem)
  • Mass parameters: 393.4 g/mol (Source: PubChem)
  • Mass parameters: 393.13247072 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 95.7 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 3.85 (Source: ChEMBL)
  • Molecule statistics: 29 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Mass parameters: 393.40 g/mol (Source: ChEMBL)
  • Mass parameters: 393.40 g/mol (Source: ChEMBL)
  • Molecule statistics: -0.76 (Source: ChEMBL)
  • Molecule statistics: 95.71 (Source: ChEMBL)
  • Molecule statistics: 0.55 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)

    • Sources: PubChem (29) ChEMBL (11)

    Information (8)

  • Chemical formula: C21H19N3O5 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H19N3O5 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (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 (7)