2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone

C20H19NO2S — CID 855438

IUPAC2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCCc1cc2ccccc2nc1SCC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H19NO2S/c1-3-14-11-15-7-4-5-10-18(15)21-20(14)24-13-19(22)16-8-6-9-17(12-16)23-2/h4-12H,3,13H2,1-2H3
InChIKeyVSAVZTIWMPCJNS-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.78
Rot. Bonds6

About 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone

2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone (PubChem CID 855438) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
PubChem CID855438
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCCc1cc2ccccc2nc1SCC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H19NO2S/c1-3-14-11-15-7-4-5-10-18(15)21-20(14)24-13-19(22)16-8-6-9-17(12-16)23-2/h4-12H,3,13H2,1-2H3
InChIKeyVSAVZTIWMPCJNS-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
1-(3,4-Dihydroxyphenyl)-2-(4-methyl(2-quinolylthio))ethan-1-one
CID 1083058
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(3-Hexanoylphenoxymethyl)quinoline
CID 13560729
6-Methoxy-4-methyl-2-methylsulfanylquinoline
CID 942030
3-(6-Methoxy-2-methyl-3-propyl-quinolin-4-ylsulfanyl)-propionic acid
CID 706288
2-(3-Methoxyphenyl)quinoline-4-carboxylic acid
CID 673666
6-(Methyloxy)-2-[(2-oxopropyl)sulfanyl]quinoline-3-carbonitrile
CID 865457

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone (CID 855438) is 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone is CCc1cc2ccccc2nc1SCC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The InChIKey is VSAVZTIWMPCJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-3-14-11-15-7-4-5-10-18(15)21-20(14)24-13-19(22)16-8-6-9-17(12-16)23-2/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone has a molecular weight of 337.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 855438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).