3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole

C25H27N3O5 — CID 3813118

IUPAC3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3cc4cccc(C)c4nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O5/c1-6-30-19-13-17(14-20(31-7-2)22(19)32-8-3)24-27-23(28-33-24)18-12-16-11-9-10-15(4)21(16)26-25(18)29-5/h9-14H,6-8H2,1-5H3
InChIKeyVSDJFFVGOVFQNM-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.46
Rot. Bonds9

About 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole

3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 3813118) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
PubChem CID3813118
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3cc4cccc(C)c4nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O5/c1-6-30-19-13-17(14-20(31-7-2)22(19)32-8-3)24-27-23(28-33-24)18-12-16-11-9-10-15(4)21(16)26-25(18)29-5/h9-14H,6-8H2,1-5H3
InChIKeyVSDJFFVGOVFQNM-UHFFFAOYSA-N
XLogP5.46
TPSA88.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1091871
3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 2002514
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
3-(2-ethoxy-8-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 2016493
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
3-(4-nitrophenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1295817
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(3-bromo-5-ethoxy-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 667087
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (CID 3813118) is 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3cc4cccc(C)c4nc3OC)no2)cc(OCC)c1OCC.
What is the InChIKey of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is VSDJFFVGOVFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-6-30-19-13-17(14-20(31-7-2)22(19)32-8-3)24-27-23(28-33-24)18-12-16-11-9-10-15(4)21(16)26-25(18)29-5/h9-14H,6-8H2,1-5H3.
What are the key properties of 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 449.51 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3813118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).