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

C22H14N4O — CID 2053489

IUPAC5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)c3ccccc3n2)cc1
InChIInChI=1S/C22H14N4O/c1-2-7-15(8-3-1)20-13-18(17-10-4-5-11-19(17)24-20)22-25-21(26-27-22)16-9-6-12-23-14-16/h1-14H
InChIKeyGYVXISJAHXFLED-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.01
Rot. Bonds3

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

5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 2053489) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID2053489
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)c3ccccc3n2)cc1
InChIInChI=1S/C22H14N4O/c1-2-7-15(8-3-1)20-13-18(17-10-4-5-11-19(17)24-20)22-25-21(26-27-22)16-9-6-12-23-14-16/h1-14H
InChIKeyGYVXISJAHXFLED-UHFFFAOYSA-N
XLogP5.01
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 2053489) is 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is c1ccc(-c2cc(-c3nc(-c4cccnc4)no3)c3ccccc3n2)cc1.
What is the InChIKey of 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is GYVXISJAHXFLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c1-2-7-15(8-3-1)20-13-18(17-10-4-5-11-19(17)24-20)22-25-21(26-27-22)16-9-6-12-23-14-16/h1-14H.
What are the key properties of 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 350.38 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylquinolin-4-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2053489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).