Details of the Drug

General Information of Drug (ID: DMNOE0V)

Drug Name

2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide

Synonyms

CHEMBL274763; 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide; AC1ME6SQ; Oprea1_279909; SCHEMBL4477684; MolPort-001-501-804; IEDWYQQEMKCMSQ-UHFFFAOYSA-N; BDBM50074822; STK047893; AKOS022078440; AKOS003267625; MCULE-5320435270; ST45002516; 2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide; (2-phenyl(4-quinolyl))-N-(phenylethyl)carboxamide; 2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-ethyl)amide; 2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-ethyl)-amide

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)

352.4

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C24H20N2O
IUPAC Name: 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C24H20N2O/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22/h2-17H,1H3,(H,25,27)
InChIKey: IEDWYQQEMKCMSQ-UHFFFAOYSA-N