2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide

C14H13N3O2S — CID 865483

IUPAC2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(N)=O)c(C#N)cc2c1
InChIInChI=1S/C14H13N3O2S/c1-2-19-11-3-4-12-9(6-11)5-10(7-15)14(17-12)20-8-13(16)18/h3-6H,2,8H2,1H3,(H2,16,18)
InChIKeyGDUXEDNYLHXSJT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.08
Rot. Bonds5

About 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide

2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide (PubChem CID 865483) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
PubChem CID865483
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(N)=O)c(C#N)cc2c1
InChIInChI=1S/C14H13N3O2S/c1-2-19-11-3-4-12-9(6-11)5-10(7-15)14(17-12)20-8-13(16)18/h3-6H,2,8H2,1H3,(H2,16,18)
InChIKeyGDUXEDNYLHXSJT-UHFFFAOYSA-N
XLogP2.08
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
6-ethoxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1207114
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethoxyquinoline-3-carbonitrile
CID 43812448
6-ethoxy-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 43812446
cyclohexyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 1156778
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 1433864
ethyl 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetate
CID 3207603
6-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 3207581
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide (CID 865483) is 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide is CCOc1ccc2nc(SCC(N)=O)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide?
The InChIKey is GDUXEDNYLHXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-19-11-3-4-12-9(6-11)5-10(7-15)14(17-12)20-8-13(16)18/h3-6H,2,8H2,1H3,(H2,16,18).
What are the key properties of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide?
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide has a molecular weight of 287.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 865483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).