N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide

C17H16N4O3S — CID 1409074

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESCn1c(NC(=O)CSc2ccc3ccccc3n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H16N4O3S/c1-20-13(9-16(23)21(2)17(20)24)19-14(22)10-25-15-8-7-11-5-3-4-6-12(11)18-15/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyXCSKVKDZJDLBQD-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.36
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 1409074) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID1409074
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESCn1c(NC(=O)CSc2ccc3ccccc3n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H16N4O3S/c1-20-13(9-16(23)21(2)17(20)24)19-14(22)10-25-15-8-7-11-5-3-4-6-12(11)18-15/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyXCSKVKDZJDLBQD-UHFFFAOYSA-N
XLogP1.36
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 23881687
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135441869
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
CID 23790592
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135468829
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 4615529
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6405481
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide (CID 1409074) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide is Cn1c(NC(=O)CSc2ccc3ccccc3n2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is XCSKVKDZJDLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-20-13(9-16(23)21(2)17(20)24)19-14(22)10-25-15-8-7-11-5-3-4-6-12(11)18-15/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 356.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 1409074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).