2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C17H15N5O2S — CID 24793615

IUPAC2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1cc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2cc1C
InChIInChI=1S/C17H15N5O2S/c1-9-4-12-6-13(7-18)17(19-14(12)5-10(9)2)25-8-15(23)20-16-11(3)21-24-22-16/h4-6H,8H2,1-3H3,(H,20,22,23)
InChIKeyHLBQSIRITJIGPW-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.15
Rot. Bonds4

About 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 24793615) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID24793615
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1cc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2cc1C
InChIInChI=1S/C17H15N5O2S/c1-9-4-12-6-13(7-18)17(19-14(12)5-10(9)2)25-8-15(23)20-16-11(3)21-24-22-16/h4-6H,8H2,1-3H3,(H,20,22,23)
InChIKeyHLBQSIRITJIGPW-UHFFFAOYSA-N
XLogP3.15
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide with MolForge

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide
CID 4917705
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 855474
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 857460
2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1450200
Acetamide,2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)-
CID 1450291
N-(5-Methyl-isoxazol-3-yl)-2-(3,6,7-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 860355
2-(3-Cyano-6,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3207800
N-(4-Methyl-furazan-3-yl)-2-(3-methyl-7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-acetamide
CID 644957
2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 651110
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 1433862
2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3208145
2-(3-Cyano-6-ethylquinolin-2-ylsulfanyl)N-(4-methylfurazan-3-yl)acetamide
CID 3207575

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 24793615) is 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1cc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2cc1C.
What is the InChIKey of 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is HLBQSIRITJIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-9-4-12-6-13(7-18)17(19-14(12)5-10(9)2)25-8-15(23)20-16-11(3)21-24-22-16/h4-6H,8H2,1-3H3,(H,20,22,23).
What are the key properties of 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 24793615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).