3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

C19H22N4O2 — CID 74238102

IUPAC3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc2nc(CN3CCCC(c4ncon4)C3)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-2-24-17-7-8-18-14(10-17)5-6-16(21-18)12-23-9-3-4-15(11-23)19-20-13-25-22-19/h5-8,10,13,15H,2-4,9,11-12H2,1H3
InChIKeyNNTKDMLBVIQAJX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds5

About 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 74238102) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID74238102
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc2nc(CN3CCCC(c4ncon4)C3)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-2-24-17-7-8-18-14(10-17)5-6-16(21-18)12-23-9-3-4-15(11-23)19-20-13-25-22-19/h5-8,10,13,15H,2-4,9,11-12H2,1H3
InChIKeyNNTKDMLBVIQAJX-UHFFFAOYSA-N
XLogP3.40
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 74238102) is 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is CCOc1ccc2nc(CN3CCCC(c4ncon4)C3)ccc2c1.
What is the InChIKey of 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is NNTKDMLBVIQAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-24-17-7-8-18-14(10-17)5-6-16(21-18)12-23-9-3-4-15(11-23)19-20-13-25-22-19/h5-8,10,13,15H,2-4,9,11-12H2,1H3.
What are the key properties of 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 74238102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).