3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

C22H19ClN4O3S — CID 42761067

IUPAC3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C22H19ClN4O3S/c23-18-7-1-5-17(14-18)21-25-22(30-26-21)16-9-12-27(13-10-16)31(28,29)19-8-2-4-15-6-3-11-24-20(15)19/h1-8,11,14,16H,9-10,12-13H2
InChIKeyMGGYQQIBFMTEGO-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.51
Rot. Bonds4

About 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 42761067) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID42761067
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C22H19ClN4O3S/c23-18-7-1-5-17(14-18)21-25-22(30-26-21)16-9-12-27(13-10-16)31(28,29)19-8-2-4-15-6-3-11-24-20(15)19/h1-8,11,14,16H,9-10,12-13H2
InChIKeyMGGYQQIBFMTEGO-UHFFFAOYSA-N
XLogP4.51
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (CID 42761067) is 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is O=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MGGYQQIBFMTEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c23-18-7-1-5-17(14-18)21-25-22(30-26-21)16-9-12-27(13-10-16)31(28,29)19-8-2-4-15-6-3-11-24-20(15)19/h1-8,11,14,16H,9-10,12-13H2.
What are the key properties of 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 454.94 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 42761067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).