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

C21H13N5O — CID 5039635

IUPAC3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)nc1
InChIInChI=1S/C21H13N5O/c1-2-6-17-15(5-1)16(13-19(24-17)14-8-11-22-12-9-14)21-25-20(26-27-21)18-7-3-4-10-23-18/h1-13H
InChIKeyQQNMXMFPBXHPOQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.41
Rot. Bonds3

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

3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 5039635) has the molecular formula C21H13N5O and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID5039635
Molecular FormulaC21H13N5O
Molecular Weight351.37 g/mol
Exact Mass351.11
IUPAC Name3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)nc1
InChIInChI=1S/C21H13N5O/c1-2-6-17-15(5-1)16(13-19(24-17)14-8-11-22-12-9-14)21-25-20(26-27-21)18-7-3-4-10-23-18/h1-13H
InChIKeyQQNMXMFPBXHPOQ-UHFFFAOYSA-N
XLogP4.41
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole (CID 5039635) is 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is QQNMXMFPBXHPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O/c1-2-6-17-15(5-1)16(13-19(24-17)14-8-11-22-12-9-14)21-25-20(26-27-21)18-7-3-4-10-23-18/h1-13H.
What are the key properties of 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole?
3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 351.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 5039635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).