6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one

C16H21N3O3S — CID 22548557

IUPAC6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C16H21N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyXKQNLGKAMDWDMA-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.24
Rot. Bonds4

About 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one

6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one (PubChem CID 22548557) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
PubChem CID22548557
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C16H21N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyXKQNLGKAMDWDMA-UHFFFAOYSA-N
XLogP1.24
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
2-methyl-4-(4-propylpiperazin-1-yl)sulfonylbenzonitrile
CID 106832995
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22549897
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903565
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The IUPAC name of 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one (CID 22548557) is 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The canonical SMILES for 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one is CCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The InChIKey is XKQNLGKAMDWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h3-6,12H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one has a molecular weight of 335.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 22548557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).