6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C17H20N4O5S — CID 129003119

IUPAC6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)n1
InChIInChI=1S/C17H20N4O5S/c1-2-14-19-16(26-20-14)17(23)7-8-21(10-17)27(24,25)12-4-5-13-11(9-12)3-6-15(22)18-13/h4-5,9,23H,2-3,6-8,10H2,1H3,(H,18,22)
InChIKeyVUIVXFFICLIMLO-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.80
Rot. Bonds4

About 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 129003119) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID129003119
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)n1
InChIInChI=1S/C17H20N4O5S/c1-2-14-19-16(26-20-14)17(23)7-8-21(10-17)27(24,25)12-4-5-13-11(9-12)3-6-15(22)18-13/h4-5,9,23H,2-3,6-8,10H2,1H3,(H,18,22)
InChIKeyVUIVXFFICLIMLO-UHFFFAOYSA-N
XLogP0.80
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
CID 129004412
(3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
CID 129327001
4-[(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 129325917
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325461
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129326671
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129001576
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
(3R)-1-[(5-chloro-2-fluorophenyl)methylsulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325841
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129004406
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 129003119) is 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is CCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)n1.
What is the InChIKey of 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VUIVXFFICLIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-2-14-19-16(26-20-14)17(23)7-8-21(10-17)27(24,25)12-4-5-13-11(9-12)3-6-15(22)18-13/h4-5,9,23H,2-3,6-8,10H2,1H3,(H,18,22).
What are the key properties of 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 392.44 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 129003119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).