1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone

C19H24N2OS — CID 860360

IUPAC1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
SMILESCc1cc(C)c2nc(SCC(=O)N3CCCCC3)cc(C)c2c1
InChIInChI=1S/C19H24N2OS/c1-13-9-15(3)19-16(10-13)14(2)11-17(20-19)23-12-18(22)21-7-5-4-6-8-21/h9-11H,4-8,12H2,1-3H3
InChIKeyZTSZNHMSQXKLPI-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.26
Rot. Bonds3

About 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone

1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone (PubChem CID 860360) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
PubChem CID860360
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
SMILESCc1cc(C)c2nc(SCC(=O)N3CCCCC3)cc(C)c2c1
InChIInChI=1S/C19H24N2OS/c1-13-9-15(3)19-16(10-13)14(2)11-17(20-19)23-12-18(22)21-7-5-4-6-8-21/h9-11H,4-8,12H2,1-3H3
InChIKeyZTSZNHMSQXKLPI-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 2556642
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone
CID 2500167
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8883016
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 2418061
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 25349077

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone (CID 860360) is 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone is Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)cc(C)c2c1.
What is the InChIKey of 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone?
The InChIKey is ZTSZNHMSQXKLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-9-15(3)19-16(10-13)14(2)11-17(20-19)23-12-18(22)21-7-5-4-6-8-21/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone?
1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone has a molecular weight of 328.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 860360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).