2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

C20H23N3OS — CID 1156425

IUPAC2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)N(C)C3CCCCC3)nc2c1
InChIInChI=1S/C20H23N3OS/c1-14-8-9-15-11-16(12-21)20(22-18(15)10-14)25-13-19(24)23(2)17-6-4-3-5-7-17/h8-11,17H,3-7,13H2,1-2H3
InChIKeyXHZPAMIWKUPDKK-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 1156425) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID1156425
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)N(C)C3CCCCC3)nc2c1
InChIInChI=1S/C20H23N3OS/c1-14-8-9-15-11-16(12-21)20(22-18(15)10-14)25-13-19(24)23(2)17-6-4-3-5-7-17/h8-11,17H,3-7,13H2,1-2H3
InChIKeyXHZPAMIWKUPDKK-UHFFFAOYSA-N
XLogP4.30
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865691
methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate
CID 654307
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 1156425) is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide is Cc1ccc2cc(C#N)c(SCC(=O)N(C)C3CCCCC3)nc2c1.
What is the InChIKey of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is XHZPAMIWKUPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14-8-9-15-11-16(12-21)20(22-18(15)10-14)25-13-19(24)23(2)17-6-4-3-5-7-17/h8-11,17H,3-7,13H2,1-2H3.
What are the key properties of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 353.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 1156425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).