5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole

C15H14ClN3O3S — CID 167765632

IUPAC5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCc1nc2c(Cl)cccc2cc1-c1nc(CCS(C)(=O)=O)no1
InChIInChI=1S/C15H14ClN3O3S/c1-9-11(8-10-4-3-5-12(16)14(10)17-9)15-18-13(19-22-15)6-7-23(2,20)21/h3-5,8H,6-7H2,1-2H3
InChIKeyASHUHXMSDVQGPZ-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.83
Rot. Bonds4

About 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole

5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole (PubChem CID 167765632) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
PubChem CID167765632
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Name5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCc1nc2c(Cl)cccc2cc1-c1nc(CCS(C)(=O)=O)no1
InChIInChI=1S/C15H14ClN3O3S/c1-9-11(8-10-4-3-5-12(16)14(10)17-9)15-18-13(19-22-15)6-7-23(2,20)21/h3-5,8H,6-7H2,1-2H3
InChIKeyASHUHXMSDVQGPZ-UHFFFAOYSA-N
XLogP2.83
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole (CID 167765632) is 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole is Cc1nc2c(Cl)cccc2cc1-c1nc(CCS(C)(=O)=O)no1.
What is the InChIKey of 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The InChIKey is ASHUHXMSDVQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9-11(8-10-4-3-5-12(16)14(10)17-9)15-18-13(19-22-15)6-7-23(2,20)21/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole has a molecular weight of 351.82 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167765632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).