CHEBI:114406 - 4-methyl-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]benzoic acid methyl ester

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ChEBI Name 4-methyl-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:114406
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H17N3O4
Net Charge 0
Average Mass 351.357
Monoisotopic Mass 351.12191
InChI InChI=1S/C19H17N3O4/c1-12-7-8-13(19(25)26-2)9-16(12)21-17(23)10-22-11-20-15-6-4-3-5-14(15)18(22)24/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKey DQHBGBDEYQPZPP-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=CC=CC=C3C2=O
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-methyl-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]benzoic acid methyl ester (CHEBI:114406) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-25866 LINCS
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