2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide

C17H16N4OS — CID 934786

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccnc3ccccc23)n1
InChIInChI=1S/C17H16N4OS/c1-11-9-12(2)20-17(19-11)23-10-16(22)21-15-7-8-18-14-6-4-3-5-13(14)15/h3-9H,10H2,1-2H3,(H,18,21,22)
InChIKeyGIBBLZZAENGNDT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.37
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide (PubChem CID 934786) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide
PubChem CID934786
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccnc3ccccc23)n1
InChIInChI=1S/C17H16N4OS/c1-11-9-12(2)20-17(19-11)23-10-16(22)21-15-7-8-18-14-6-4-3-5-13(14)15/h3-9H,10H2,1-2H3,(H,18,21,22)
InChIKeyGIBBLZZAENGNDT-UHFFFAOYSA-N
XLogP3.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide (CID 934786) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccnc3ccccc23)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide?
The InChIKey is GIBBLZZAENGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-9-12(2)20-17(19-11)23-10-16(22)21-15-7-8-18-14-6-4-3-5-13(14)15/h3-9H,10H2,1-2H3,(H,18,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide has a molecular weight of 324.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide is sourced from PubChem (CID 934786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).