2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C17H15N5O2S — CID 3207575

IUPAC2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1
InChIInChI=1S/C17H15N5O2S/c1-3-11-4-5-14-12(6-11)7-13(8-18)17(19-14)25-9-15(23)20-16-10(2)21-24-22-16/h4-7H,3,9H2,1-2H3,(H,20,22,23)
InChIKeyKIBCPHSNWJWRTI-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 3207575) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID3207575
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1
InChIInChI=1S/C17H15N5O2S/c1-3-11-4-5-14-12(6-11)7-13(8-18)17(19-14)25-9-15(23)20-16-10(2)21-24-22-16/h4-7H,3,9H2,1-2H3,(H,20,22,23)
InChIKeyKIBCPHSNWJWRTI-UHFFFAOYSA-N
XLogP3.09
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 3207575) is 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is CCc1ccc2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is KIBCPHSNWJWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-3-11-4-5-14-12(6-11)7-13(8-18)17(19-14)25-9-15(23)20-16-10(2)21-24-22-16/h4-7H,3,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 3207575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).