5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

C20H24ClN5O2 — CID 133324977

IUPAC5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1
InChIInChI=1S/C20H24ClN5O2/c1-3-27-14(2)20-23-19(28-24-20)13-25-8-10-26(11-9-25)18-6-7-22-17-12-15(21)4-5-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyJILKAGTXNDXUTP-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.69
Rot. Bonds6

About 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 133324977) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID133324977
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1
InChIInChI=1S/C20H24ClN5O2/c1-3-27-14(2)20-23-19(28-24-20)13-25-8-10-26(11-9-25)18-6-7-22-17-12-15(21)4-5-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyJILKAGTXNDXUTP-UHFFFAOYSA-N
XLogP3.69
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337609
3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
5-[[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133403489
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133324990
5-[[4-(5-bromo-3-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324968
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71988766
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (CID 133324977) is 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is CCOC(C)c1noc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1.
What is the InChIKey of 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is JILKAGTXNDXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-3-27-14(2)20-23-19(28-24-20)13-25-8-10-26(11-9-25)18-6-7-22-17-12-15(21)4-5-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 401.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133324977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).