3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole

C20H17N3O2 — CID 3159251

IUPAC3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H17N3O2/c1-12-7-9-14(10-8-12)19-22-18(23-25-19)16-11-15-6-4-5-13(2)17(15)21-20(16)24-3/h4-11H,1-3H3
InChIKeyLSVAEOLDGLFLMU-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.58
Rot. Bonds3

About 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole

3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 3159251) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID3159251
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H17N3O2/c1-12-7-9-14(10-8-12)19-22-18(23-25-19)16-11-15-6-4-5-13(2)17(15)21-20(16)24-3/h4-11H,1-3H3
InChIKeyLSVAEOLDGLFLMU-UHFFFAOYSA-N
XLogP4.58
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 3159251) is 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is COc1nc2c(C)cccc2cc1-c1noc(-c2ccc(C)cc2)n1.
What is the InChIKey of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is LSVAEOLDGLFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-7-9-14(10-8-12)19-22-18(23-25-19)16-11-15-6-4-5-13(2)17(15)21-20(16)24-3/h4-11H,1-3H3.
What are the key properties of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3159251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).