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

C17H26N3O3S+ — CID 9264499

IUPAC6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H25N3O3S/c1-2-3-8-19-9-11-20(12-10-19)24(22,23)15-5-6-16-14(13-15)4-7-17(21)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,18,21)/p+1
InChIKeyYDLNPHJWNBMKMD-UHFFFAOYSA-O
MW352.48 g/mol
LogP0.26
Rot. Bonds5

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

6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9264499) has the molecular formula C17H26N3O3S+ and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID9264499
Molecular FormulaC17H26N3O3S+
Molecular Weight352.48 g/mol
Exact Mass352.17
IUPAC Name6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H25N3O3S/c1-2-3-8-19-9-11-20(12-10-19)24(22,23)15-5-6-16-14(13-15)4-7-17(21)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,18,21)/p+1
InChIKeyYDLNPHJWNBMKMD-UHFFFAOYSA-O
XLogP0.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
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
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
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-(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
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 9264499) is 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is CCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YDLNPHJWNBMKMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3S/c1-2-3-8-19-9-11-20(12-10-19)24(22,23)15-5-6-16-14(13-15)4-7-17(21)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,18,21)/p+1.
What are the key properties of 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 352.48 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9264499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).