2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C20H26N2OS — CID 857940

IUPAC2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H26N2OS/c1-4-16-12-17-9-8-14(2)11-18(17)21-20(16)24-13-19(23)22-10-6-5-7-15(22)3/h8-9,11-12,15H,4-7,10,13H2,1-3H3/t15-/m1/s1
InChIKeyIFQFTBPTCFBGCF-OAHLLOKOSA-N
MW342.51 g/mol
LogP4.60
Rot. Bonds4

About 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 857940) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID857940
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H26N2OS/c1-4-16-12-17-9-8-14(2)11-18(17)21-20(16)24-13-19(23)22-10-6-5-7-15(22)3/h8-9,11-12,15H,4-7,10,13H2,1-3H3/t15-/m1/s1
InChIKeyIFQFTBPTCFBGCF-OAHLLOKOSA-N
XLogP4.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3206706
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2087301
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 112786259
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3189723
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649232
2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 857528
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
5-acetyl-6-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
CID 18171706
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 115979905

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 857940) is 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone is CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is IFQFTBPTCFBGCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-4-16-12-17-9-8-14(2)11-18(17)21-20(16)24-13-19(23)22-10-6-5-7-15(22)3/h8-9,11-12,15H,4-7,10,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 342.51 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 857940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).