Details of the Drug

General Information of Drug (ID: DMLT01H)

Drug Name

6-Bromo-2-piperazin-1-yl-quinoline

Synonyms

124782-95-2; 6-Bromo-2-piperazin-1-yl-quinoline; 6-bromo-2-(piperazin-1-yl)quinoline; 6-Bromoquipazine; 6-bromo-2-piperazin-1-ylquinoline; Quinoline, 6-bromo-2-(1-piperazinyl)-; CHEMBL39164; Quinoline,6-bromo-2-(1-piperazinyl)-; ACMC-20mr6z; AC1L2X2K; SCHEMBL5912936; CTK4B4077; DTXSID90154485; MKIHFWMBAKJYJL-UHFFFAOYSA-N; ZINC2527449; BDBM50090213; 6-bromo-2-(1-piperazinyl)quinoline; 3453AJ; AKOS022401899; AB19846; 6-bromanyl-2-piperazin-1-yl-quinoline; AJ-83658; DB-062320; AX8027344; FT-0713002; Z-6757; A805296

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)

292.17

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H14BrN3
IUPAC Name: 6-bromo-2-piperazin-1-ylquinoline
Canonical SMILES: C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)Br
InChI: InChI=1S/C13H14BrN3/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: MKIHFWMBAKJYJL-UHFFFAOYSA-N