2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone

C19H24N2OS — CID 3189723

IUPAC2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2cc(C)c(SCC(=O)N3CCCC(C)C3)nc2c1
InChIInChI=1S/C19H24N2OS/c1-13-6-7-16-10-15(3)19(20-17(16)9-13)23-12-18(22)21-8-4-5-14(2)11-21/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3
InChIKeyPLXJYZJTUMYPBV-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.20
Rot. Bonds3

About 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone

2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 3189723) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID3189723
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2cc(C)c(SCC(=O)N3CCCC(C)C3)nc2c1
InChIInChI=1S/C19H24N2OS/c1-13-6-7-16-10-15(3)19(20-17(16)9-13)23-12-18(22)21-8-4-5-14(2)11-21/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3
InChIKeyPLXJYZJTUMYPBV-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3206706
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
1-pyrrolidin-1-yl-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 856908
7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865691
5,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1450176
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 7383528
methyl 2-(3,7-dimethylquinolin-2-yl)sulfanylacetate
CID 864543
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 857940
3-(4-methylphenyl)sulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 17187440
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 1153265
1-(azepan-1-yl)-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethanone
CID 1171950

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone (CID 3189723) is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone is Cc1ccc2cc(C)c(SCC(=O)N3CCCC(C)C3)nc2c1.
What is the InChIKey of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PLXJYZJTUMYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-6-7-16-10-15(3)19(20-17(16)9-13)23-12-18(22)21-8-4-5-14(2)11-21/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3.
What are the key properties of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone?
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 328.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3189723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).