2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole

C27H20ClN3O — CID 67124798

IUPAC2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(C=C(c2ccc(CCc3ccc4ccccc4n3)cc2)c2nnco2)cc1
InChIInChI=1S/C27H20ClN3O/c28-23-13-7-20(8-14-23)17-25(27-31-29-18-32-27)21-10-5-19(6-11-21)9-15-24-16-12-22-3-1-2-4-26(22)30-24/h1-8,10-14,16-18H,9,15H2
InChIKeyCIKMXAHGFBRADV-UHFFFAOYSA-N
MW437.93 g/mol
LogP6.65
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole

2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole (PubChem CID 67124798) has the molecular formula C27H20ClN3O and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole
PubChem CID67124798
Molecular FormulaC27H20ClN3O
Molecular Weight437.93 g/mol
Exact Mass437.13
IUPAC Name2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(C=C(c2ccc(CCc3ccc4ccccc4n3)cc2)c2nnco2)cc1
InChIInChI=1S/C27H20ClN3O/c28-23-13-7-20(8-14-23)17-25(27-31-29-18-32-27)21-10-5-19(6-11-21)9-15-24-16-12-22-3-1-2-4-26(22)30-24/h1-8,10-14,16-18H,9,15H2
InChIKeyCIKMXAHGFBRADV-UHFFFAOYSA-N
XLogP6.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole (CID 67124798) is 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole is Clc1ccc(C=C(c2ccc(CCc3ccc4ccccc4n3)cc2)c2nnco2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is CIKMXAHGFBRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O/c28-23-13-7-20(8-14-23)17-25(27-31-29-18-32-27)21-10-5-19(6-11-21)9-15-24-16-12-22-3-1-2-4-26(22)30-24/h1-8,10-14,16-18H,9,15H2.
What are the key properties of 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 437.93 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 67124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).