Details of the Drug

General Information of Drug (ID: DMM41AQ)

Drug Name

6-Chloro-2-piperazin-1-yl-quinoline

Synonyms

6-chloro-2-piperazin-1-yl-quinoline; 78060-46-5; 6-Chloro-2-(piperazin-1-yl)quinoline; 6-chloro-2-piperazin-1-ylquinoline; 6-chloro-2-(1-piperazinyl)quinoline; CHEMBL290537; AC1Q3JZ5; 2-Piperazino-6-chloroquinoline; SCHEMBL4182196; CTK5E5334; DTXSID60437575; GSFXEINORRSYJW-UHFFFAOYSA-N; ZINC2527450; 3506AJ; BDBM50090216; AKOS022401900; AB19847; 6-chloranyl-2-piperazin-1-yl-quinoline; Quinoline,6-chloro-2-(1-piperazinyl)-; AJ-83656; AX8029614; KB-248323; DB-075405; FT-0719429; Z-5014

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

247.72

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H14ClN3
IUPAC Name: 6-chloro-2-piperazin-1-ylquinoline
Canonical SMILES: C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)Cl
InChI: InChI=1S/C13H14ClN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey: GSFXEINORRSYJW-UHFFFAOYSA-N