3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

C17H13N3O2S — CID 934616

IUPAC3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C17H13N3O2S/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(22-20-15)13-7-4-8-23-13/h3-9H,1-2H3
InChIKeyJSFLSTJPFZASAL-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.33
Rot. Bonds3

About 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 934616) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID934616
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C17H13N3O2S/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(22-20-15)13-7-4-8-23-13/h3-9H,1-2H3
InChIKeyJSFLSTJPFZASAL-UHFFFAOYSA-N
XLogP4.33
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Methoxy-6-methylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852902
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridyl]-5-(2-thienyl)-1,2,4-oxadiazole
CID 664482
2-Methoxy-6-phenyl-3-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913801
2-Methoxy-6-(3-methoxyphenyl)-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091867
6-(4-Chlorophenyl)-2-methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2000920
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852900
2-Methoxy-6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
CID 2023428
3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-5-(m-tolyl)-1,2,4-oxadiazole
CID 127041291
3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-5-phenyl-1,2,4-oxadiazole
CID 127042150
2-Methoxy-8-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]quinoline
CID 3159251
5-(2-Fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 3159262
Pyridine, 2-ethoxy-6-methyl-3-(5-thiophen-2-yl-[1,2,4]oxadiazol-3-yl)-
CID 852898

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 934616) is 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is COc1nc2c(C)cccc2cc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is JSFLSTJPFZASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(22-20-15)13-7-4-8-23-13/h3-9H,1-2H3.
What are the key properties of 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 323.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 934616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).