2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide

C16H20N4O3S — CID 110684450

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-10-8-19(9-11-20)12-15(21)18-14-6-2-4-13-5-3-7-17-16(13)14/h2-7H,8-12H2,1H3,(H,18,21)
InChIKeyOKXOMNDBBQDYHJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.75
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide

2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide (PubChem CID 110684450) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
PubChem CID110684450
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-10-8-19(9-11-20)12-15(21)18-14-6-2-4-13-5-3-7-17-16(13)14/h2-7H,8-12H2,1H3,(H,18,21)
InChIKeyOKXOMNDBBQDYHJ-UHFFFAOYSA-N
XLogP0.75
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830
N-(3-aminophenyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 62992900
N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436788
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
2-[(3aR,4S,6R,6aS)-2-ethyl-4,6-dipyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-quinolin-8-ylacetamide
CID 177479784
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide (CID 110684450) is 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide is CS(=O)(=O)N1CCN(CC(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide?
The InChIKey is OKXOMNDBBQDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)20-10-8-19(9-11-20)12-15(21)18-14-6-2-4-13-5-3-7-17-16(13)14/h2-7H,8-12H2,1H3,(H,18,21).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide?
2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide has a molecular weight of 348.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 110684450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).