N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180)

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ChEBI Name	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide

ChEBI ID	CHEBI:90180

ChEBI ASCII Name	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide

Definition	A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H13BrN4O

Net Charge

Average Mass

381.226

Monoisotopic Mass

380.02727

InChI

InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)

InChIKey

BTYYWOYVBXILOJ-UHFFFAOYSA-N

SMILES

BrC=1C=C(NC2=NC=NC3=C2C=C(NC(=O)C#CC)C=C3)C=CC1

Roles Classification
Biological Role(s):	epidermal growth factor receptor antagonist An antagonist at the epidermal growth factor receptor. EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) has role antineoplastic agent (CHEBI:35610) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) has role epidermal growth factor receptor antagonist (CHEBI:74440) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) is a bromobenzenes (CHEBI:37149) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) is a quinazolines (CHEBI:38530) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) is a secondary carboxamide (CHEBI:140325) N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide (CHEBI:90180) is a ynamide (CHEBI:51752)

IUPAC Name

N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide

Synonyms	Sources
CL-387,785	ChEBI
CL-387785	ChemIDplus
EKB-785	ChemIDplus
EKI-785	ChemIDplus
N-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide	ChEBI
N-{4-[(m-bromophenyl)amino]-6-quinazolinyl}-2-butynamide	ChEBI
N-{4-[(m-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide	ChEBI

Last Modified

07 March 2018