6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C16H21N3O4S — CID 110817203

IUPAC6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H21N3O4S/c1-2-16(21)18-7-9-19(10-8-18)24(22,23)13-4-5-14-12(11-13)3-6-15(20)17-14/h4-5,11H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyOTXYIMBRVBJSOV-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.81
Rot. Bonds3

About 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110817203) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID110817203
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H21N3O4S/c1-2-16(21)18-7-9-19(10-8-18)24(22,23)13-4-5-14-12(11-13)3-6-15(20)17-14/h4-5,11H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyOTXYIMBRVBJSOV-UHFFFAOYSA-N
XLogP0.81
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
N-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-yl]acetamide
CID 28533821
N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 55627840
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
6-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31239886
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122334820
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204

Frequently Asked Questions

What is the IUPAC name of 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 110817203) is 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OTXYIMBRVBJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-2-16(21)18-7-9-19(10-8-18)24(22,23)13-4-5-14-12(11-13)3-6-15(20)17-14/h4-5,11H,2-3,6-10H2,1H3,(H,17,20).
What are the key properties of 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 351.43 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110817203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).