2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide

C19H21N3OS — CID 865629

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C19H21N3OS/c1-13-7-8-17-14(9-13)10-15(11-20)19(22-17)24-12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,21,23)
InChIKeyKOFHFKNPKOEYMJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 865629) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID865629
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C19H21N3OS/c1-13-7-8-17-14(9-13)10-15(11-20)19(22-17)24-12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,21,23)
InChIKeyKOFHFKNPKOEYMJ-UHFFFAOYSA-N
XLogP3.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 3207512
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 1156425
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1105343
2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
cyclohexyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 1156778
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide (CID 865629) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide is Cc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is KOFHFKNPKOEYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-7-8-17-14(9-13)10-15(11-20)19(22-17)24-12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3,(H,21,23).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 865629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).