1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

  • Description:
  • Formula: C22H19ClN4O5
  • Molar mass: 454.9 g mol-1
  • InChI Key: SPMVMDHWKHCIDT-UHFFFAOYSA-N
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Identifiers (28)

  • Standard InChI: InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) (Source: PubChem)
  • IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (Source: PubChem)
  • PubChem CID: 9911830 (Source: PubChem)
  • SMILES String: CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl (Source: PubChem)
  • CAS Registry Number: 475108-18-0 (Source: PubChem)
  • Drug Central ID: 5258 (Source: DrugCentral 2023)
  • Standard InChI: InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) (Source: ChEMBL)
  • Standard InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N (Source: ChEMBL)
  • SMILES String: COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC (Source: ChEMBL)
  • Brand Name: Tivozanib (Source: ChEMBL)
  • DrugBank ID: DB11800 (Source: DrugBank)
  • CompTox Dashboard Substance ID: DTXSID20963865 (Source: USEPA CompTox Dashboard)
  • BindingDB ID: BDBM50331095 (Source: Binding DB)
  • Connectivity SMILES string: CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl (Source: PubChem)
  • Standard InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:91327 (Source: PubChem)
  • ChEMBL ID: CHEMBL1289494 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID60205690 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID20963865 (Source: PubChem)
  • European Community Number: 968-821-5 (Source: PubChem)
  • Wikidata ID: Q7810457 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EK03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Tivozanib (Source: ChEMBL)
  • British National Formulary: Tivozanib (Source: ChEMBL)
  • Connectivity SMILES string: COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC (Source: ChEMBL)
  • International Nonproprietary Name: Tivozanib (Source: ChEMBL)
  • Preferred Name: TIVOZANIB (Source: ChEMBL)
  • US Adopted Name: Tivozanib (Source: ChEMBL)

    • Sources: PubChem (13) DrugCentral 2023 (1) ChEMBL (11) DrugBank (1) USEPA CompTox Dashboard (1) Binding DB (1)

    Data (55)

  • Mass parameters: 454.87 g/mol (Source: ChEMBL)
  • Molecule statistics: 32 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Stuctural analysis: 631 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 454.1043974 Da (Source: PubChem)
  • Molecule statistics: 32 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 631 (Source: PubChem)
  • Stuctural analysis: 334.1 (Source: PubChem)
  • Mass parameters: 454.9 g/mol (Source: PubChem)
  • Mass parameters: 454.1043974 Da (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Surface parameters: 108 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: < 1 µg/mL (Source: DrugBank)
  • Mass parameters: 454.87 g/mol (Source: ChEMBL)
  • Physical properties: 220 °C (Source: DrugBank)
  • Physical properties: 550 °C (Source: DrugBank)
  • Physical properties: 0.75 (Source: PubChem)
  • Thermodynamic parameters: 286.7 (Source: ChemSpider)
  • Thermodynamic parameters: 83.0 (Source: ChemSpider)
  • Stuctural analysis: 59.7 (Source: ChemSpider)
  • Stuctural analysis: 4 (Source: ChemSpider)
  • Physical properties: 3 (Source: DrugBank)
  • Stuctural analysis: 631 (Source: PubChem)
  • Physical properties: 111 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 5.64 (Source: ChEMBL)
  • Molecule statistics: 32 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 454.87 g/mol (Source: ChEMBL)
  • Mass parameters: 454.87 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.57 (Source: ChEMBL)
  • Molecule statistics: 107.74 (Source: ChEMBL)
  • Molecule statistics: 0.39 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)

    • Sources: ChEMBL (14) PubChem (33) DrugBank (4) ChemSpider (4)

    Information (8)

  • Chemical formula: C22H19ClN4O5 (Source: ChEMBL)
  • Chemical formula: C22H19ClN4O5 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: angiogenesis inhibitors (Source: ChEMBL)
  • USAN STEM: -anib (Source: ChEMBL)

    • Sources: ChEMBL (7) PubChem (1)