2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C17H18N4O2S — CID 857460

IUPAC2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)Nc1nonc1C
InChIInChI=1S/C17H18N4O2S/c1-4-12-8-13-7-5-6-10(2)15(13)19-17(12)24-9-14(22)18-16-11(3)20-23-21-16/h5-8H,4,9H2,1-3H3,(H,18,21,22)
InChIKeyFZMQGKMYSFLTKL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.53
Rot. Bonds5

About 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 857460) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID857460
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)Nc1nonc1C
InChIInChI=1S/C17H18N4O2S/c1-4-12-8-13-7-5-6-10(2)15(13)19-17(12)24-9-14(22)18-16-11(3)20-23-21-16/h5-8H,4,9H2,1-3H3,(H,18,21,22)
InChIKeyFZMQGKMYSFLTKL-UHFFFAOYSA-N
XLogP3.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide with MolForge

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Related Compounds

2-(3-Cyano-6,7-dimethyl-quinolin-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 24793615
2-(3-Chloro-7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 650995
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 653427
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 855474
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3208214
2-[2-(1-adamantyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 3221504
N-(5-Methyl-isoxazol-3-yl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 3189733
2-(3,8-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792686
2-(3,6-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792500
N-(4-Methyl-furazan-3-yl)-2-(3-methyl-7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-acetamide
CID 644957
2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 648574

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 857460) is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is CCc1cc2cccc(C)c2nc1SCC(=O)Nc1nonc1C.
What is the InChIKey of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is FZMQGKMYSFLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-12-8-13-7-5-6-10(2)15(13)19-17(12)24-9-14(22)18-16-11(3)20-23-21-16/h5-8H,4,9H2,1-3H3,(H,18,21,22).
What are the key properties of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 857460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).