5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole

C17H19N3O3 — CID 4272238

IUPAC5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cc3cc(OC)ccc3nc2OC)no1
InChIInChI=1S/C17H19N3O3/c1-4-5-6-15-19-16(20-23-15)13-10-11-9-12(21-2)7-8-14(11)18-17(13)22-3/h7-10H,4-6H2,1-3H3
InChIKeyMXGNIPWAZROQHU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds6

About 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole

5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 4272238) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID4272238
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cc3cc(OC)ccc3nc2OC)no1
InChIInChI=1S/C17H19N3O3/c1-4-5-6-15-19-16(20-23-15)13-10-11-9-12(21-2)7-8-14(11)18-17(13)22-3/h7-10H,4-6H2,1-3H3
InChIKeyMXGNIPWAZROQHU-UHFFFAOYSA-N
XLogP3.64
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
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-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913863
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913836

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole (CID 4272238) is 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole is CCCCc1nc(-c2cc3cc(OC)ccc3nc2OC)no1.
What is the InChIKey of 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MXGNIPWAZROQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-5-6-15-19-16(20-23-15)13-10-11-9-12(21-2)7-8-14(11)18-17(13)22-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole?
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 313.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 4272238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).