2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C18H19N3O2S — CID 646655

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCC3CCCO3)c(C#N)cc2c1
InChIInChI=1S/C18H19N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h4-5,7-8,15H,2-3,6,10-11H2,1H3,(H,20,22)
InChIKeyYNWZKUCVJXOKRZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.80
Rot. Bonds5

About 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 646655) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID646655
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCC3CCCO3)c(C#N)cc2c1
InChIInChI=1S/C18H19N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h4-5,7-8,15H,2-3,6,10-11H2,1H3,(H,20,22)
InChIKeyYNWZKUCVJXOKRZ-UHFFFAOYSA-N
XLogP2.80
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 646655) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2nc(SCC(=O)NCC3CCCO3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YNWZKUCVJXOKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h4-5,7-8,15H,2-3,6,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.80, 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-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 646655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).