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

C19H15N3O2 — CID 2023428

IUPAC3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O2/c1-12-8-9-16-14(10-12)11-15(19(20-16)23-2)17-21-18(24-22-17)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyGZKHAFIORSXHJF-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.27
Rot. Bonds3

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

3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 2023428) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID2023428
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O2/c1-12-8-9-16-14(10-12)11-15(19(20-16)23-2)17-21-18(24-22-17)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyGZKHAFIORSXHJF-UHFFFAOYSA-N
XLogP4.27
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole (CID 2023428) is 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole is COc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GZKHAFIORSXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-8-9-16-14(10-12)11-15(19(20-16)23-2)17-21-18(24-22-17)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2023428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).