7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride

C13H14BrCl2N3 — CID 121237126

IUPAC7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
SMILESCl.Clc1cnc2cc(Br)ccc2c1N1CCNCC1
InChIInChI=1S/C13H13BrClN3.ClH/c14-9-1-2-10-12(7-9)17-8-11(15)13(10)18-5-3-16-4-6-18;/h1-2,7-8,16H,3-6H2;1H
InChIKeyLYVLZTKEFDKXOQ-UHFFFAOYSA-N
MW363.09 g/mol
LogP3.48
Rot. Bonds1

About 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride

7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121237126) has the molecular formula C13H14BrCl2N3 and a molecular weight of 363.09 g/mol. Its IUPAC name is 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121237126
Molecular FormulaC13H14BrCl2N3
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
SMILESCl.Clc1cnc2cc(Br)ccc2c1N1CCNCC1
InChIInChI=1S/C13H13BrClN3.ClH/c14-9-1-2-10-12(7-9)17-8-11(15)13(10)18-5-3-16-4-6-18;/h1-2,7-8,16H,3-6H2;1H
InChIKeyLYVLZTKEFDKXOQ-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride (CID 121237126) is 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride is Cl.Clc1cnc2cc(Br)ccc2c1N1CCNCC1.
What is the InChIKey of 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is LYVLZTKEFDKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3.ClH/c14-9-1-2-10-12(7-9)17-8-11(15)13(10)18-5-3-16-4-6-18;/h1-2,7-8,16H,3-6H2;1H.
What are the key properties of 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride?
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 363.09 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121237126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).