3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

C22H17N3O2 — CID 127040972

IUPAC3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C22H17N3O2/c1-26-22-18(15-17-9-5-6-10-19(17)23-22)12-13-20-24-21(27-25-20)14-11-16-7-3-2-4-8-16/h2-15H,1H3/b13-12+,14-11+
InChIKeyPTSQXWIHDZRPGB-UIGAKZAYSA-N
MW355.40 g/mol
LogP4.97
Rot. Bonds5

About 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (PubChem CID 127040972) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
PubChem CID127040972
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C22H17N3O2/c1-26-22-18(15-17-9-5-6-10-19(17)23-22)12-13-20-24-21(27-25-20)14-11-16-7-3-2-4-8-16/h2-15H,1H3/b13-12+,14-11+
InChIKeyPTSQXWIHDZRPGB-UIGAKZAYSA-N
XLogP4.97
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (CID 127040972) is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is COc1nc2ccccc2cc1/C=C/c1noc(/C=C/c2ccccc2)n1.
What is the InChIKey of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The InChIKey is PTSQXWIHDZRPGB-UIGAKZAYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-26-22-18(15-17-9-5-6-10-19(17)23-22)12-13-20-24-21(27-25-20)14-11-16-7-3-2-4-8-16/h2-15H,1H3/b13-12+,14-11+.
What are the key properties of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole has a molecular weight of 355.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127040972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).