3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole

C22H20N4O — CID 3236759

IUPAC3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1
InChIInChI=1S/C22H20N4O/c1-2-6-16(7-3-1)21-25-22(27-26-21)18-14-20(15-10-12-23-13-11-15)24-19-9-5-4-8-17(18)19/h4-5,8-14,16H,1-3,6-7H2
InChIKeyJZJPIZMQYGMHHS-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.39
Rot. Bonds3

About 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole

3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 3236759) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID3236759
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1
InChIInChI=1S/C22H20N4O/c1-2-6-16(7-3-1)21-25-22(27-26-21)18-14-20(15-10-12-23-13-11-15)24-19-9-5-4-8-17(18)19/h4-5,8-14,16H,1-3,6-7H2
InChIKeyJZJPIZMQYGMHHS-UHFFFAOYSA-N
XLogP5.39
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole (CID 3236759) is 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole is c1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1.
What is the InChIKey of 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JZJPIZMQYGMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-6-16(7-3-1)21-25-22(27-26-21)18-14-20(15-10-12-23-13-11-15)24-19-9-5-4-8-17(18)19/h4-5,8-14,16H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 356.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3236759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).