CHEBI:120649 - 4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester

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ChEBI Name 4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester
ChEBI ID CHEBI:120649
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H15BrN2O4
Net Charge 0
Average Mass 451.270
Monoisotopic Mass 450.02152
InChI InChI=1S/C22H15BrN2O4/c1-28-17-12-8-15(9-13-17)22(27)29-25-20(14-6-10-16(23)11-7-14)24-19-5-3-2-4-18(19)21(25)26/h2-13H,1H3
InChIKey AZIQVQCACXYRFM-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester (CHEBI:120649) is a methoxybenzoic acid (CHEBI:25238)
Manual Xref Database
LSM-32091 LINCS
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