N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

  • Description:
  • Formula: C22H24ClFN4O3
  • Molar mass: 446.9 g mol-1
  • InChI Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Identifiers (26)

  • Standard InChI: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) (Source: PubChem)
  • IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (Source: PubChem)
  • PubChem CID: 123631 (Source: PubChem)
  • SMILES String: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4 (Source: PubChem)
  • Connectivity SMILES string: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4 (Source: PubChem)
  • Standard InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 184475-35-2 (Source: PubChem)
  • ChEBI ID: CHEBI:49668 (Source: PubChem)
  • ChEMBL ID: CHEMBL939 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID6021034 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID8041034 (Source: PubChem)
  • European Community Number: 643-034-7 (Source: PubChem)
  • Wikidata ID: Q417824 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EB01 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Gefitinib (Source: ChEMBL)
  • British Approved Name: Gefitinib (Source: ChEMBL)
  • British National Formulary: Gefitinib (Source: ChEMBL)
  • Connectivity SMILES string: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 (Source: ChEMBL)
  • European Medicines Agency Name: Gefitinib (Source: ChEMBL)
  • International Nonproprietary Name: Gefitinib (Source: ChEMBL)
  • Japanese Adopted Name: Gefitinib (Source: ChEMBL)
  • Merck Index Name: Gefitinib (Source: ChEMBL)
  • Preferred Name: GEFITINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) (Source: ChEMBL)
  • Standard InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Gefitinib (Source: ChEMBL)
  • Data (38)

  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Surface parameters: 31 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Stuctural analysis: 545 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 68.7 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 446.1520965 Da (Source: PubChem)
  • Molecule statistics: 31 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 545 (Source: PubChem)
  • Stuctural analysis: 331.7 (Source: PubChem)
  • Mass parameters: 446.9 g/mol (Source: PubChem)
  • Mass parameters: 446.1520965 Da (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 68.7 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 4.28 (Source: ChEMBL)
  • Molecule statistics: 31 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Mass parameters: 446.91 g/mol (Source: ChEMBL)
  • Mass parameters: 446.91 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.75 (Source: ChEMBL)
  • Molecule statistics: 68.74 (Source: ChEMBL)
  • Molecule statistics: 0.52 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Information (7)

  • Chemical formula: C22H24ClFN4O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C22H24ClFN4O3 (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)