3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol

C18H19N3O4 — CID 136575370

IUPAC3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol
SMILESCOC1(c2noc(-c3cc4cc(O)ccc4nc3C)n2)CCOCC1
InChIInChI=1S/C18H19N3O4/c1-11-14(10-12-9-13(22)3-4-15(12)19-11)16-20-17(21-25-16)18(23-2)5-7-24-8-6-18/h3-4,9-10,22H,5-8H2,1-2H3
InChIKeyZXEVAAVWBWEMRY-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.95
Rot. Bonds3

About 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol

3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol (PubChem CID 136575370) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol.

Molecular Properties

Compound Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol
PubChem CID136575370
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol
SMILESCOC1(c2noc(-c3cc4cc(O)ccc4nc3C)n2)CCOCC1
InChIInChI=1S/C18H19N3O4/c1-11-14(10-12-9-13(22)3-4-15(12)19-11)16-20-17(21-25-16)18(23-2)5-7-24-8-6-18/h3-4,9-10,22H,5-8H2,1-2H3
InChIKeyZXEVAAVWBWEMRY-UHFFFAOYSA-N
XLogP2.95
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol?
The IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol (CID 136575370) is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol.
What is the SMILES notation for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol?
The canonical SMILES for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol is COC1(c2noc(-c3cc4cc(O)ccc4nc3C)n2)CCOCC1.
What is the InChIKey of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol?
The InChIKey is ZXEVAAVWBWEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-14(10-12-9-13(22)3-4-15(12)19-11)16-20-17(21-25-16)18(23-2)5-7-24-8-6-18/h3-4,9-10,22H,5-8H2,1-2H3.
What are the key properties of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol?
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol has a molecular weight of 341.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol is sourced from PubChem (CID 136575370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).