3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole

C20H17N3O3 — CID 4318522

IUPAC3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H17N3O3/c1-3-25-20-16(12-14-11-15(24-2)9-10-17(14)21-20)18-22-19(26-23-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyVXSAQTOTYBDQCE-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 4318522) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID4318522
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H17N3O3/c1-3-25-20-16(12-14-11-15(24-2)9-10-17(14)21-20)18-22-19(26-23-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyVXSAQTOTYBDQCE-UHFFFAOYSA-N
XLogP4.36
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 2023299
3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 3586075
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole (CID 4318522) is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole is CCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is VXSAQTOTYBDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-25-20-16(12-14-11-15(24-2)9-10-17(14)21-20)18-22-19(26-23-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole?
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 347.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 4318522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).