5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C21H20N6O2 — CID 166456439

IUPAC5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cnccn5)no4)CC3)nc12
InChIInChI=1S/C21H20N6O2/c1-28-17-4-2-3-14-5-6-18(24-19(14)17)27-11-7-15(8-12-27)21-25-20(26-29-21)16-13-22-9-10-23-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeySAKKYKGEZSKKJT-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.47
Rot. Bonds4

About 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 166456439) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID166456439
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cnccn5)no4)CC3)nc12
InChIInChI=1S/C21H20N6O2/c1-28-17-4-2-3-14-5-6-18(24-19(14)17)27-11-7-15(8-12-27)21-25-20(26-29-21)16-13-22-9-10-23-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeySAKKYKGEZSKKJT-UHFFFAOYSA-N
XLogP3.47
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 166456439) is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is COc1cccc2ccc(N3CCC(c4nc(-c5cnccn5)no4)CC3)nc12.
What is the InChIKey of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SAKKYKGEZSKKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-17-4-2-3-14-5-6-18(24-19(14)17)27-11-7-15(8-12-27)21-25-20(26-29-21)16-13-22-9-10-23-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3.
What are the key properties of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 388.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166456439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).