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

C21H19ClN6O — CID 146279340

IUPAC3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc2c(N3CCN(Cc4noc(-c5cccnc5)n4)CC3)ccnc2c1
InChIInChI=1S/C21H19ClN6O/c22-16-3-4-17-18(12-16)24-7-5-19(17)28-10-8-27(9-11-28)14-20-25-21(29-26-20)15-2-1-6-23-13-15/h1-7,12-13H,8-11,14H2
InChIKeyHHJNEQAVJOQMTM-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.66
Rot. Bonds4

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

3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 146279340) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID146279340
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc2c(N3CCN(Cc4noc(-c5cccnc5)n4)CC3)ccnc2c1
InChIInChI=1S/C21H19ClN6O/c22-16-3-4-17-18(12-16)24-7-5-19(17)28-10-8-27(9-11-28)14-20-25-21(29-26-20)15-2-1-6-23-13-15/h1-7,12-13H,8-11,14H2
InChIKeyHHJNEQAVJOQMTM-UHFFFAOYSA-N
XLogP3.66
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (CID 146279340) is 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is Clc1ccc2c(N3CCN(Cc4noc(-c5cccnc5)n4)CC3)ccnc2c1.
What is the InChIKey of 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is HHJNEQAVJOQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c22-16-3-4-17-18(12-16)24-7-5-19(17)28-10-8-27(9-11-28)14-20-25-21(29-26-20)15-2-1-6-23-13-15/h1-7,12-13H,8-11,14H2.
What are the key properties of 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 406.88 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 146279340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).