3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline

C24H28ClN3O — CID 24733909

IUPAC3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
SMILESClc1ccc(OCCN2CCN(CCCc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28ClN3O/c25-22-7-9-23(10-8-22)29-17-16-28-14-12-27(13-15-28)11-3-4-20-18-21-5-1-2-6-24(21)26-19-20/h1-2,5-10,18-19H,3-4,11-17H2
InChIKeyXJUXUXLLRZZUAA-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.52
Rot. Bonds8

About 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline

3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline (PubChem CID 24733909) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline.

Molecular Properties

Compound Name3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
PubChem CID24733909
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
SMILESClc1ccc(OCCN2CCN(CCCc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28ClN3O/c25-22-7-9-23(10-8-22)29-17-16-28-14-12-27(13-15-28)11-3-4-20-18-21-5-1-2-6-24(21)26-19-20/h1-2,5-10,18-19H,3-4,11-17H2
InChIKeyXJUXUXLLRZZUAA-UHFFFAOYSA-N
XLogP4.52
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
3-(2-phenoxyethyl)quinoline
CID 54129983
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733892
3-[4-(3-ethoxyphenoxy)butyl]quinoline
CID 173263735
3-(3-ethoxypropyl)quinoline
CID 91801315
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline?
The IUPAC name of 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline (CID 24733909) is 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline.
What is the SMILES notation for 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline?
The canonical SMILES for 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline is Clc1ccc(OCCN2CCN(CCCc3cnc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline?
The InChIKey is XJUXUXLLRZZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-22-7-9-23(10-8-22)29-17-16-28-14-12-27(13-15-28)11-3-4-20-18-21-5-1-2-6-24(21)26-19-20/h1-2,5-10,18-19H,3-4,11-17H2.
What are the key properties of 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline?
3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline has a molecular weight of 409.96 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline is sourced from PubChem (CID 24733909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).