6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

C16H11N3O3S — CID 939022

IUPAC6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4cccs4)n3)cc2c1
InChIInChI=1S/C16H11N3O3S/c1-21-10-4-5-12-9(7-10)8-11(15(20)17-12)14-18-16(22-19-14)13-3-2-6-23-13/h2-8H,1H3,(H,17,20)
InChIKeyNNCSVKUBTTZSMU-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.32
Rot. Bonds3

About 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (PubChem CID 939022) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
PubChem CID939022
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4cccs4)n3)cc2c1
InChIInChI=1S/C16H11N3O3S/c1-21-10-4-5-12-9(7-10)8-11(15(20)17-12)14-18-16(22-19-14)13-3-2-6-23-13/h2-8H,1H3,(H,17,20)
InChIKeyNNCSVKUBTTZSMU-UHFFFAOYSA-N
XLogP3.32
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one with MolForge

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Related Compounds

6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
2-Methoxy-6-(3-methoxyphenyl)-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091867
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
CID 664662
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-6-methoxy-quinolin-2-ol
CID 651756
3-(3-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 665971
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
3-(4-ethoxyphenyl)-2-(((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 27373269
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 27375472
2-(4-methoxyphenyl)-N-(3-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl)acetamide
CID 46868929
3-(4-methoxyphenyl)-2-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 27373210
N-(4-methoxyphenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375461

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (CID 939022) is 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(-c3noc(-c4cccs4)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The InChIKey is NNCSVKUBTTZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c1-21-10-4-5-12-9(7-10)8-11(15(20)17-12)14-18-16(22-19-14)13-3-2-6-23-13/h2-8H,1H3,(H,17,20).
What are the key properties of 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one has a molecular weight of 325.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 939022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).