3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole

C18H14N4O2 — CID 3842317

IUPAC3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1nc2cc(C)ccc2cc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C18H14N4O2/c1-11-6-7-12-10-13(17(23-2)20-15(12)9-11)16-21-18(24-22-16)14-5-3-4-8-19-14/h3-10H,1-2H3
InChIKeyWRIKFBAQNRWRPH-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.66
Rot. Bonds3

About 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole

3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 3842317) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID3842317
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1nc2cc(C)ccc2cc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C18H14N4O2/c1-11-6-7-12-10-13(17(23-2)20-15(12)9-11)16-21-18(24-22-16)14-5-3-4-8-19-14/h3-10H,1-2H3
InChIKeyWRIKFBAQNRWRPH-UHFFFAOYSA-N
XLogP3.66
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 3586075
3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53103262
3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 665532
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
2,6-dimethoxy-3-pyridin-2-ylpyridine
CID 67608577
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 3842317) is 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole is COc1nc2cc(C)ccc2cc1-c1noc(-c2ccccn2)n1.
What is the InChIKey of 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is WRIKFBAQNRWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-6-7-12-10-13(17(23-2)20-15(12)9-11)16-21-18(24-22-16)14-5-3-4-8-19-14/h3-10H,1-2H3.
What are the key properties of 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 318.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3842317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).