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

C21H19N3O4 — CID 5176334

IUPAC3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C21H19N3O4/c1-4-27-20-16(12-13-11-14(25-2)9-10-17(13)22-20)19-23-21(28-24-19)15-7-5-6-8-18(15)26-3/h5-12H,4H2,1-3H3
InChIKeyCVBJFOOUPJJSOD-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.37
Rot. Bonds6

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

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 5176334) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID5176334
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C21H19N3O4/c1-4-27-20-16(12-13-11-14(25-2)9-10-17(13)22-20)19-23-21(28-24-19)15-7-5-6-8-18(15)26-3/h5-12H,4H2,1-3H3
InChIKeyCVBJFOOUPJJSOD-UHFFFAOYSA-N
XLogP4.37
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
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-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 5176334) is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is CCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccccc2OC)n1.
What is the InChIKey of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CVBJFOOUPJJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-4-27-20-16(12-13-11-14(25-2)9-10-17(13)22-20)19-23-21(28-24-19)15-7-5-6-8-18(15)26-3/h5-12H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 5176334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).