2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361)

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ChEBI Name	2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

ChEBI ID	CHEBI:147361

ChEBI ASCII Name	2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

Definition	A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2.

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

Supplier Information

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Formula

C17H17N3O3

Net Charge

Average Mass

311.341

Monoisotopic Mass

311.12699

InChI

InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)

InChIKey

CABMTIJINOIHOD-UHFFFAOYSA-N

SMILES

C=1(C(=CC=2C=CC=CC2N1)C(O)=O)C=3NC(C(N3)(C)C(C)C)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361) is a imidazolone (CHEBI:20432) 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361) is a monocarboxylic acid (CHEBI:25384) 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361) is a quinolinemonocarboxylic acid (CHEBI:26512)

Incoming	(R)-imazaquin (CHEBI:147359) is a 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361) (S)-imazaquin (CHEBI:147360) is a 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361)

IUPAC Name

2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

Last Modified

01 April 2020

General Comment
2020-04-01	This is material with unspecified stereochemistry. There are separate entries for the racemate (imazaquin) and its individual enantiomers (R)- and (S)-imazaquin.