3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole

C18H21N3O2 — CID 3830668

IUPAC3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCOc1nc2cc(C)ccc2cc1-c1noc(CC(C)C)n1
InChIInChI=1S/C18H21N3O2/c1-5-22-18-14(17-20-16(23-21-17)8-11(2)3)10-13-7-6-12(4)9-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3
InChIKeyHKTYLRGDRCBKPY-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.19
Rot. Bonds5

About 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole

3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 3830668) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID3830668
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCOc1nc2cc(C)ccc2cc1-c1noc(CC(C)C)n1
InChIInChI=1S/C18H21N3O2/c1-5-22-18-14(17-20-16(23-21-17)8-11(2)3)10-13-7-6-12(4)9-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3
InChIKeyHKTYLRGDRCBKPY-UHFFFAOYSA-N
XLogP4.19
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole (CID 3830668) is 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole is CCOc1nc2cc(C)ccc2cc1-c1noc(CC(C)C)n1.
What is the InChIKey of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is HKTYLRGDRCBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-5-22-18-14(17-20-16(23-21-17)8-11(2)3)10-13-7-6-12(4)9-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 311.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3830668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).