3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol

C₁₇H₁₇N₃O₄ — CID 146142994

About 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol

3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol (PubChem CID 146142994) has the molecular formula C₁₇H₁₇N₃O₄ and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol.

Molecular Properties

• Compound Name: 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
• PubChem CID: 146142994
• Molecular Formula: C₁₇H₁₇N₃O₄
• Molecular Weight: 327.34 g/mol
• Exact Mass: 327.12
• IUPAC Name: 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
• SMILES: COC1(c2noc(-c3cnc4cc(O)ccc4c3)n2)CCOCC1
• InChI: InChI=1S/C17H17N3O4/c1-22-17(4-6-23-7-5-17)16-19-15(24-20-16)12-8-11-2-3-13(21)9-14(11)18-10-12/h2-3,8-10,21H,4-7H2,1H3
• InChIKey: IKDDOOVVXXEWIU-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 90.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.34
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol?

The IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol (CID 146142994) is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol.

What is the SMILES notation for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol?

The canonical SMILES for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol is COC1(c2noc(-c3cnc4cc(O)ccc4c3)n2)CCOCC1.

What is the InChIKey of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol?

The InChIKey is IKDDOOVVXXEWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-22-17(4-6-23-7-5-17)16-19-15(24-20-16)12-8-11-2-3-13(21)9-14(11)18-10-12/h2-3,8-10,21H,4-7H2,1H3.

What are the key properties of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol?

3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol has a molecular weight of 327.34 g/mol, XLogP of 2.64, 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]quinolin-7-ol is sourced from PubChem (CID 146142994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146142994 — identifiers, structure, computed properties (public domain)

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