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CHEBI:131504 - PD 168393

ChEBI IDCHEBI:131504
ChEBI NamePD 168393
Stars
DefinitionA member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC17H13BrN4O
Net Charge0
Average Mass369.222
Monoisotopic Mass368.02727
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
InChIKeyHTUBKQUPEREOGA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
PD 168393 (CHEBI:131504) has role epidermal growth factor receptor antagonist (CHEBI:74440)
PD 168393 (CHEBI:131504) is a acrylamides (CHEBI:22216)
PD 168393 (CHEBI:131504) is a bromobenzenes (CHEBI:37149)
PD 168393 (CHEBI:131504) is a quinazolines (CHEBI:38530)
PD 168393 (CHEBI:131504) is a secondary carboxamide (CHEBI:140325)
PD 168393 (CHEBI:131504) is a substituted aniline (CHEBI:48975)
IUPAC Name 
N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
Synonyms  Source
PD168393ChemIDplus
4-[(3-bromophenyl)amino]-6-acrylamidoquinazolineChEBI
PD-168393ChemIDplus
Registry NumbersSources
Reaxys:8341355Reaxys
CAS:194423-15-9ChemIDplus
Citations