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

C17H17N3O4 — CID 146142994

IUPAC3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
SMILESCOC1(c2noc(-c3cnc4cc(O)ccc4c3)n2)CCOCC1
InChIInChI=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
InChIKeyIKDDOOVVXXEWIU-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.64
Rot. Bonds3

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 Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
PubChem CID146142994
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
SMILESCOC1(c2noc(-c3cnc4cc(O)ccc4c3)n2)CCOCC1
InChIInChI=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
InChIKeyIKDDOOVVXXEWIU-UHFFFAOYSA-N
XLogP2.64
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).