ethyl 2-quinolin-8-ylsulfanylacetate

C13H13NO2S — CID 975565

IUPACethyl 2-quinolin-8-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C13H13NO2S/c1-2-16-12(15)9-17-11-7-3-5-10-6-4-8-14-13(10)11/h3-8H,2,9H2,1H3
InChIKeyKUZAWDRHHATKNE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds4

About ethyl 2-quinolin-8-ylsulfanylacetate

ethyl 2-quinolin-8-ylsulfanylacetate (PubChem CID 975565) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is ethyl 2-quinolin-8-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-quinolin-8-ylsulfanylacetate
PubChem CID975565
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Nameethyl 2-quinolin-8-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C13H13NO2S/c1-2-16-12(15)9-17-11-7-3-5-10-6-4-8-14-13(10)11/h3-8H,2,9H2,1H3
InChIKeyKUZAWDRHHATKNE-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-quinolin-8-ylsulfanylacetate 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

ethyl 2-quinolin-8-ylacetate
CID 52562898
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(2-ethylphenyl)sulfanylacetate
CID 86276480
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409

Frequently Asked Questions

What is the IUPAC name of ethyl 2-quinolin-8-ylsulfanylacetate?
The IUPAC name of ethyl 2-quinolin-8-ylsulfanylacetate (CID 975565) is ethyl 2-quinolin-8-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-quinolin-8-ylsulfanylacetate?
The canonical SMILES for ethyl 2-quinolin-8-ylsulfanylacetate is CCOC(=O)CSc1cccc2cccnc12.
What is the InChIKey of ethyl 2-quinolin-8-ylsulfanylacetate?
The InChIKey is KUZAWDRHHATKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-16-12(15)9-17-11-7-3-5-10-6-4-8-14-13(10)11/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-quinolin-8-ylsulfanylacetate?
ethyl 2-quinolin-8-ylsulfanylacetate has a molecular weight of 247.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-quinolin-8-ylsulfanylacetate is sourced from PubChem (CID 975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).