N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide

C17H16N4O3S — CID 23790592

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
SMILESCn1c(NC(=O)CSc2cccc3cccnc23)cc(=O)n(C)c1=O
InChIInChI=1S/C17H16N4O3S/c1-20-13(9-15(23)21(2)17(20)24)19-14(22)10-25-12-7-3-5-11-6-4-8-18-16(11)12/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeySFIVTKXYQMKVLD-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.36
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 23790592) 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-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID23790592
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
SMILESCn1c(NC(=O)CSc2cccc3cccnc23)cc(=O)n(C)c1=O
InChIInChI=1S/C17H16N4O3S/c1-20-13(9-15(23)21(2)17(20)24)19-14(22)10-25-12-7-3-5-11-6-4-8-18-16(11)12/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeySFIVTKXYQMKVLD-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

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Related Compounds

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1409074
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4297004
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135441869
N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 3539327
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 4615529
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide (CID 23790592) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide is Cn1c(NC(=O)CSc2cccc3cccnc23)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is SFIVTKXYQMKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-20-13(9-15(23)21(2)17(20)24)19-14(22)10-25-12-7-3-5-11-6-4-8-18-16(11)12/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-8-ylsulfanylacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-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-8-ylsulfanylacetamide is sourced from PubChem (CID 23790592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).