2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide

C17H19N3OS — CID 865636

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C17H19N3OS/c1-4-20(5-2)16(21)11-22-17-14(10-18)9-13-8-12(3)6-7-15(13)19-17/h6-9H,4-5,11H2,1-3H3
InChIKeyYJOXKPMDECWXGI-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.38
Rot. Bonds5

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

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 865636) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID865636
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C17H19N3OS/c1-4-20(5-2)16(21)11-22-17-14(10-18)9-13-8-12(3)6-7-15(13)19-17/h6-9H,4-5,11H2,1-3H3
InChIKeyYJOXKPMDECWXGI-UHFFFAOYSA-N
XLogP3.38
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide (CID 865636) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2ccc(C)cc2cc1C#N.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is YJOXKPMDECWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-20(5-2)16(21)11-22-17-14(10-18)9-13-8-12(3)6-7-15(13)19-17/h6-9H,4-5,11H2,1-3H3.
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 313.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 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,N-diethylacetamide is sourced from PubChem (CID 865636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).