8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

C18H19N3OS — CID 865136

IUPAC8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc12
InChIInChI=1S/C18H19N3OS/c1-13-6-5-7-14-10-15(11-19)18(20-17(13)14)23-12-16(22)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,12H2,1H3
InChIKeyMTDLSEZIJZABRJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.52
Rot. Bonds3

About 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (PubChem CID 865136) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
PubChem CID865136
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc12
InChIInChI=1S/C18H19N3OS/c1-13-6-5-7-14-10-15(11-19)18(20-17(13)14)23-12-16(22)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,12H2,1H3
InChIKeyMTDLSEZIJZABRJ-UHFFFAOYSA-N
XLogP3.52
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile
CID 3207674
7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865691
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812187
5,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1450176
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
2-(cyanomethylsulfanyl)-8-methylquinoline-3-carbonitrile
CID 3141909
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78831177
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 1451824
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The IUPAC name of 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (CID 865136) is 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is Cc1cccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc12.
What is the InChIKey of 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The InChIKey is MTDLSEZIJZABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-6-5-7-14-10-15(11-19)18(20-17(13)14)23-12-16(22)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,12H2,1H3.
What are the key properties of 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile has a molecular weight of 325.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is sourced from PubChem (CID 865136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).