3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol

C18H24N4O4S — CID 129004412

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
SMILESCCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)C2)n1
InChIInChI=1S/C18H24N4O4S/c1-3-16-19-17(26-20-16)18(23)8-10-22(12-18)27(24,25)14-7-6-13-5-4-9-21(2)15(13)11-14/h6-7,11,23H,3-5,8-10,12H2,1-2H3
InChIKeyWZQZVTASWXBUNM-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.30
Rot. Bonds4

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol (PubChem CID 129004412) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
PubChem CID129004412
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
SMILESCCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)C2)n1
InChIInChI=1S/C18H24N4O4S/c1-3-16-19-17(26-20-16)18(23)8-10-22(12-18)27(24,25)14-7-6-13-5-4-9-21(2)15(13)11-14/h6-7,11,23H,3-5,8-10,12H2,1-2H3
InChIKeyWZQZVTASWXBUNM-UHFFFAOYSA-N
XLogP1.30
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 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) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol is CCc1noc(C2(O)CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)C2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is WZQZVTASWXBUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-16-19-17(26-20-16)18(23)8-10-22(12-18)27(24,25)14-7-6-13-5-4-9-21(2)15(13)11-14/h6-7,11,23H,3-5,8-10,12H2,1-2H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 392.48 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 129004412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).