2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

C20H23N3O2S — CID 655434

IUPAC2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCOc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C20H23N3O2S/c1-23(16-6-4-3-5-7-16)19(24)13-26-20-15(12-21)10-14-11-17(25-2)8-9-18(14)22-20/h8-11,16H,3-7,13H2,1-2H3
InChIKeyOWTHIHRUQJBGPQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 655434) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID655434
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCOc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C20H23N3O2S/c1-23(16-6-4-3-5-7-16)19(24)13-26-20-15(12-21)10-14-11-17(25-2)8-9-18(14)22-20/h8-11,16H,3-7,13H2,1-2H3
InChIKeyOWTHIHRUQJBGPQ-UHFFFAOYSA-N
XLogP4.00
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 655434) is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide is COc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is OWTHIHRUQJBGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23(16-6-4-3-5-7-16)19(24)13-26-20-15(12-21)10-14-11-17(25-2)8-9-18(14)22-20/h8-11,16H,3-7,13H2,1-2H3.
What are the key properties of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 369.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).