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

C18H19N3OS — CID 865691

IUPAC7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1
InChIInChI=1S/C18H19N3OS/c1-13-5-6-14-10-15(11-19)18(20-16(14)9-13)23-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyHGLKSSHTRCAMFV-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.52
Rot. Bonds3

About 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (PubChem CID 865691) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
PubChem CID865691
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1
InChIInChI=1S/C18H19N3OS/c1-13-5-6-14-10-15(11-19)18(20-16(14)9-13)23-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyHGLKSSHTRCAMFV-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

6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate
CID 654307
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile
CID 3207674
8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865136
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 1156425
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3189723
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78831177
1-pyrrolidin-1-yl-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 856908
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The IUPAC name of 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (CID 865691) is 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The canonical SMILES for 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1.
What is the InChIKey of 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The InChIKey is HGLKSSHTRCAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-5-6-14-10-15(11-19)18(20-16(14)9-13)23-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3.
What are the key properties of 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
7-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 7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is sourced from PubChem (CID 865691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).