3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

C17H13N3O3S — CID 3835386

IUPAC3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(OC)c(-c3noc(-c4cccs4)n3)cc2c1
InChIInChI=1S/C17H13N3O3S/c1-21-11-5-6-13-10(8-11)9-12(16(18-13)22-2)15-19-17(23-20-15)14-4-3-7-24-14/h3-9H,1-2H3
InChIKeyCZZGRZQQHZMIKZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.03
Rot. Bonds4

About 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 3835386) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID3835386
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(OC)c(-c3noc(-c4cccs4)n3)cc2c1
InChIInChI=1S/C17H13N3O3S/c1-21-11-5-6-13-10(8-11)9-12(16(18-13)22-2)15-19-17(23-20-15)14-4-3-7-24-14/h3-9H,1-2H3
InChIKeyCZZGRZQQHZMIKZ-UHFFFAOYSA-N
XLogP4.03
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162647683
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 42851489
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852898
3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 665532
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 9291181
1-(2,5-dimethoxyphenyl)-3-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53209928

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 3835386) is 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc2nc(OC)c(-c3noc(-c4cccs4)n3)cc2c1.
What is the InChIKey of 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is CZZGRZQQHZMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-21-11-5-6-13-10(8-11)9-12(16(18-13)22-2)15-19-17(23-20-15)14-4-3-7-24-14/h3-9H,1-2H3.
What are the key properties of 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 339.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3835386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).