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

C22H21N5O2 — CID 166456445

IUPAC5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc12
InChIInChI=1S/C22H21N5O2/c1-28-18-6-2-4-15-7-8-19(24-20(15)18)27-12-9-16(10-13-27)22-25-21(26-29-22)17-5-3-11-23-14-17/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyAUOMPABOZHIJPV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.07
Rot. Bonds4

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

5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 166456445) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID166456445
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc12
InChIInChI=1S/C22H21N5O2/c1-28-18-6-2-4-15-7-8-19(24-20(15)18)27-12-9-16(10-13-27)22-25-21(26-29-22)17-5-3-11-23-14-17/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyAUOMPABOZHIJPV-UHFFFAOYSA-N
XLogP4.07
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 138687189
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CID 138687192
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CID 138749308
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CID 56662005
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CID 56682551
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CID 164621986
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CID 89927978

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 166456445) is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is COc1cccc2ccc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc12.
What is the InChIKey of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is AUOMPABOZHIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-18-6-2-4-15-7-8-19(24-20(15)18)27-12-9-16(10-13-27)22-25-21(26-29-22)17-5-3-11-23-14-17/h2-8,11,14,16H,9-10,12-13H2,1H3.
What are the key properties of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166456445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).