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CHEBI:39084 - linkable gefitinib analogue

ChEBI IDCHEBI:39084
ChEBI Namelinkable gefitinib analogue
Stars
DefinitionAn analogue of gefitinib in which the morpholino group is replaced by NH2.
Last Modified22 August 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H18ClFN4O2
Net Charge0
Average Mass376.819
Monoisotopic Mass376.11023
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN
InChIInChI=1S/C18H18ClFN4O2/c1-25-16-9-15-12(8-17(16)26-6-2-5-21)18(23-10-22-15)24-11-3-4-14(20)13(19)7-11/h3-4,7-10H,2,5-6,21H2,1H3,(H,22,23,24)
InChIKeyIJCUTMPLJMWBTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
linkable gefitinib analogue (CHEBI:39084) has functional parent gefitinib (CHEBI:49668)
linkable gefitinib analogue (CHEBI:39084) is a organochlorine compound (CHEBI:36683)
linkable gefitinib analogue (CHEBI:39084) is a organofluorine compound (CHEBI:37143)
linkable gefitinib analogue (CHEBI:39084) is a quinazolines (CHEBI:38530)
IUPAC Name 
6-(3-aminopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
Registry NumbersSources
Reaxys:18301260Reaxys