Details of the Drug

General Information of Drug (ID: DMPU7KE)

Drug Name

(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid

Synonyms

103368-21-4; (4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid; 1(2h)-quinolineacetic acid, 4-methyl-2-oxo-; NSC108456; (4-methyl-2-oxoquinolin-1(2H)-yl)acetic acid; CHEMBL64455; 2-(4-methyl-2-oxoquinolin-1(2H)-yl)acetic acid; BAS 02839786; (4-Methyl-2-oxo-1(2H)-quinolinyl)acetic acid; 2-(4-methyl-2-oxohydroquinolyl)acetic acid; AC1L6JZ1; AC1Q6I1O; MLS000714792; SCHEMBL15709048; CTK4A2028; DTXSID20296246; MolPort-001-984-878; ZINC380285; HMS2670L06; HMS1681E20; HMS3482A22; ZX-AN005388; ALBB-005471; BB_SC-06267; ZX-CM004260; BBL010328

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

217.22

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H11NO3
IUPAC Name: 2-(4-methyl-2-oxoquinolin-1-yl)acetic acid
Canonical SMILES: CC1=CC(=O)N(C2=CC=CC=C12)CC(=O)O
InChI: InChI=1S/C12H11NO3/c1-8-6-11(14)13(7-12(15)16)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,15,16)
InChIKey: VKKWCKNFSMMXJZ-UHFFFAOYSA-N