2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C19H17N3O2S — CID 653760

IUPAC2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1
InChIInChI=1S/C19H17N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h3-8H,10-11H2,1-2H3,(H,21,23)
InChIKeyGLKWLQVECQPEBT-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.72
Rot. Bonds5

About 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 653760) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID653760
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1
InChIInChI=1S/C19H17N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h3-8H,10-11H2,1-2H3,(H,21,23)
InChIKeyGLKWLQVECQPEBT-UHFFFAOYSA-N
XLogP3.72
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 653760) is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1.
What is the InChIKey of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GLKWLQVECQPEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h3-8H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 653760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).