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

C23H23N5O2 — CID 46956786

IUPAC2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc2ccc(CN3CCC(c4nnc(-c5cccnc5)o4)CC3)nc12
InChIInChI=1S/C23H23N5O2/c1-29-20-6-2-4-16-7-8-19(25-21(16)20)15-28-12-9-17(10-13-28)22-26-27-23(30-22)18-5-3-11-24-14-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3
InChIKeyROQHXUVTBCSXKY-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.07
Rot. Bonds5

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

2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 46956786) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID46956786
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc2ccc(CN3CCC(c4nnc(-c5cccnc5)o4)CC3)nc12
InChIInChI=1S/C23H23N5O2/c1-29-20-6-2-4-16-7-8-19(25-21(16)20)15-28-12-9-17(10-13-28)22-26-27-23(30-22)18-5-3-11-24-14-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3
InChIKeyROQHXUVTBCSXKY-UHFFFAOYSA-N
XLogP4.07
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 46956786) is 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is COc1cccc2ccc(CN3CCC(c4nnc(-c5cccnc5)o4)CC3)nc12.
What is the InChIKey of 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is ROQHXUVTBCSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-20-6-2-4-16-7-8-19(25-21(16)20)15-28-12-9-17(10-13-28)22-26-27-23(30-22)18-5-3-11-24-14-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3.
What are the key properties of 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 401.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 46956786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).