Details of the Drug

General Information of Drug (ID: DMRMSU5)

Drug Name

6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one

Synonyms

CHEMBL17516; 119924-94-6; 3,4-dihydro-6-(1H-imidazol-1-yl)quinolin-2(1H)-one; 2(1H)-Quinolinone, 3,4-dihydro-6-(1H-imidazol-1-yl)-; ACMC-20momi; 6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one; SCHEMBL10463333; CTK0F9353; DTXSID20551867; BDMKPUAZENLRDY-UHFFFAOYSA-N; BDBM50000309; 6-(imidazol-1-yl)-3,4-dihydrocarbostyril

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)

213.23

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H11N3O
IUPAC Name: 6-imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
Canonical SMILES: C1CC(=O)NC2=C1C=C(C=C2)N3C=CN=C3
InChI: InChI=1S/C12H11N3O/c16-12-4-1-9-7-10(2-3-11(9)14-12)15-6-5-13-8-15/h2-3,5-8H,1,4H2,(H,14,16)
InChIKey: BDMKPUAZENLRDY-UHFFFAOYSA-N