5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole

C21H19N3O4 — CID 665758

IUPAC5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)c1
InChIInChI=1S/C21H19N3O4/c1-12-5-6-18-13(7-12)10-17(21(22-18)27-4)19-23-20(28-24-19)14-8-15(25-2)11-16(9-14)26-3/h5-11H,1-4H3
InChIKeyMGYMAECZCANQQY-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.29
Rot. Bonds5

About 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole

5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 665758) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID665758
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)c1
InChIInChI=1S/C21H19N3O4/c1-12-5-6-18-13(7-12)10-17(21(22-18)27-4)19-23-20(28-24-19)14-8-15(25-2)11-16(9-14)26-3/h5-11H,1-4H3
InChIKeyMGYMAECZCANQQY-UHFFFAOYSA-N
XLogP4.29
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole (CID 665758) is 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MGYMAECZCANQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12-5-6-18-13(7-12)10-17(21(22-18)27-4)19-23-20(28-24-19)14-8-15(25-2)11-16(9-14)26-3/h5-11H,1-4H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 665758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).