4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

  • Description:
  • Formula: C21H19ClN4O4
  • Molar mass: 426.9 g mol-1
  • InChI Key: WOSKHXYHFSIKNG-UHFFFAOYSA-N
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

Identifiers (23)

  • Standard InChI: InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28) (Source: PubChem)
  • IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide (Source: PubChem)
  • PubChem CID: 9823820 (Source: PubChem)
  • SMILES String: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl (Source: PubChem)
  • Connectivity SMILES string: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl (Source: PubChem)
  • Standard InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 417716-92-8 (Source: PubChem)
  • ChEBI ID: CHEBI:85994 (Source: PubChem)
  • ChEMBL ID: CHEMBL1289601 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID50117096 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID50194605 (Source: PubChem)
  • European Community Number: 970-217-1 (Source: PubChem)
  • Wikidata ID: Q6523413 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX08 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Lenvatinib (Source: ChEMBL)
  • British National Formulary: Lenvatinib (Source: ChEMBL)
  • Connectivity SMILES string: COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O (Source: ChEMBL)
  • International Nonproprietary Name: Lenvatinib (Source: ChEMBL)
  • Merck Index Name: Lenvatinib (Source: ChEMBL)
  • Preferred Name: LENVATINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28) (Source: ChEMBL)
  • Standard InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Lenvatinib (Source: ChEMBL)

    • Sources: PubChem (13) ChEMBL (10)

    Data (31)

  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 2.8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 426.1094828 Da (Source: PubChem)
  • Molecule statistics: 30 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 634 (Source: PubChem)
  • Stuctural analysis: 315.3 (Source: PubChem)
  • Mass parameters: 426.9 g/mol (Source: PubChem)
  • Mass parameters: 426.1094828 Da (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Surface parameters: 116 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 4.07 (Source: ChEMBL)
  • Molecule statistics: 30 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 426.86 g/mol (Source: ChEMBL)
  • Mass parameters: 426.86 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.35 (Source: ChEMBL)
  • Molecule statistics: 115.57 (Source: ChEMBL)
  • Molecule statistics: 0.55 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)

    • Sources: PubChem (20) ChEMBL (11)

    Information (8)

  • Chemical formula: C21H19ClN4O4 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H19ClN4O4 (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)