Details of the Drug

General Information of Drug (ID: DMKNQW4)

Drug Name

7,8-dichloroquinoline-4-one-3-carboxylic acid

Synonyms

300675-28-9; 7,8-DICHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID; 144061-33-6; 7,8-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylic Acid; CHEMBL218566; 7,8-Dichloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; J-650168; 7,8-dichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; AC1LEVOV; Oprea1_635608; Oprea1_583373; SCHEMBL9654331; SCHEMBL17502115; CTK7I6370; CHEBI:94582; DTXSID00351180; MolPort-000-680-344; MolPort-000-651-074; ZINC3945161; STK539875; MFCD01909987

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)

258.05

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H5Cl2NO3
IUPAC Name: 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Canonical SMILES: C1=CC(=C(C2=C1C(=O)C(=CN2)C(=O)O)Cl)Cl
InChI: InChI=1S/C10H5Cl2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey: HVXHDYSWCHQWBD-UHFFFAOYSA-N