2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide

C20H21BrClN3 — CID 22468029

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
SMILESBr.Clc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C20H20ClN3.BrH/c21-18-8-5-16(6-9-18)15-23-11-13-24(14-12-23)20-10-7-17-3-1-2-4-19(17)22-20;/h1-10H,11-15H2;1H
InChIKeyWPTJRQGVBLMWND-UHFFFAOYSA-N
MW418.77 g/mol
LogP4.79
Rot. Bonds3

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide (PubChem CID 22468029) has the molecular formula C20H21BrClN3 and a molecular weight of 418.77 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
PubChem CID22468029
Molecular FormulaC20H21BrClN3
Molecular Weight418.77 g/mol
Exact Mass417.06
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
SMILESBr.Clc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C20H20ClN3.BrH/c21-18-8-5-16(6-9-18)15-23-11-13-24(14-12-23)20-10-7-17-3-1-2-4-19(17)22-20;/h1-10H,11-15H2;1H
InChIKeyWPTJRQGVBLMWND-UHFFFAOYSA-N
XLogP4.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
2-[3-[(4-quinolin-2-ylpiperazin-1-yl)methyl]phenyl]acetaldehyde
CID 88583763
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594
N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine
CID 174513076
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
2-(4-pentan-3-ylpiperazin-1-yl)quinoline
CID 11314275
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 154575777
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide (CID 22468029) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide is Br.Clc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide?
The InChIKey is WPTJRQGVBLMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3.BrH/c21-18-8-5-16(6-9-18)15-23-11-13-24(14-12-23)20-10-7-17-3-1-2-4-19(17)22-20;/h1-10H,11-15H2;1H.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide has a molecular weight of 418.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide is sourced from PubChem (CID 22468029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).