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

C21H19N3O3 — CID 3549923

IUPAC3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H19N3O3/c1-4-26-21-17(12-15-11-16(25-3)9-10-18(15)22-21)19-23-20(27-24-19)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3
InChIKeyDJBLTVYSUIUYRO-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.67
Rot. Bonds5

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

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 3549923) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID3549923
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H19N3O3/c1-4-26-21-17(12-15-11-16(25-3)9-10-18(15)22-21)19-23-20(27-24-19)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3
InChIKeyDJBLTVYSUIUYRO-UHFFFAOYSA-N
XLogP4.67
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(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-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 3586075
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 3549923) is 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is CCOc1nc2ccc(OC)cc2cc1-c1noc(-c2ccc(C)cc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is DJBLTVYSUIUYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-4-26-21-17(12-15-11-16(25-3)9-10-18(15)22-21)19-23-20(27-24-19)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 361.40 g/mol, XLogP of 4.67, 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-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3549923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).