2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

C19H24N2OS — CID 2556642

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(SCC(=O)N2CCC(C)CC2)nc2c(C)cccc12
InChIInChI=1S/C19H24N2OS/c1-13-7-9-21(10-8-13)18(22)12-23-17-11-15(3)16-6-4-5-14(2)19(16)20-17/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyAOJGNSLAMGGMDT-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.20
Rot. Bonds3

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 2556642) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID2556642
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(SCC(=O)N2CCC(C)CC2)nc2c(C)cccc12
InChIInChI=1S/C19H24N2OS/c1-13-7-9-21(10-8-13)18(22)12-23-17-11-15(3)16-6-4-5-14(2)19(16)20-17/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyAOJGNSLAMGGMDT-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

Analyze 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone
CID 2500167
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 25349077
3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8883016
1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 860360
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone
CID 41188730
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6599741
2-ethylsulfanyl-4,8-dimethylquinoline
CID 39774365
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 863275
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 2551876
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2500155

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (CID 2556642) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(SCC(=O)N2CCC(C)CC2)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is AOJGNSLAMGGMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-7-9-21(10-8-13)18(22)12-23-17-11-15(3)16-6-4-5-14(2)19(16)20-17/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-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-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2556642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).