2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole

C24H17N3O2S — CID 67124525

IUPAC2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1nnco1)c1ccsc1
InChIInChI=1S/C24H17N3O2S/c1-2-4-23-19(3-1)5-8-20(26-23)14-28-21-9-6-18(7-10-21)22(24-27-25-16-29-24)13-17-11-12-30-15-17/h1-13,15-16H,14H2
InChIKeyMIMABTWTNSEAAT-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.85
Rot. Bonds6

About 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole

2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole (PubChem CID 67124525) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
PubChem CID67124525
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1nnco1)c1ccsc1
InChIInChI=1S/C24H17N3O2S/c1-2-4-23-19(3-1)5-8-20(26-23)14-28-21-9-6-18(7-10-21)22(24-27-25-16-29-24)13-17-11-12-30-15-17/h1-13,15-16H,14H2
InChIKeyMIMABTWTNSEAAT-UHFFFAOYSA-N
XLogP5.85
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole (CID 67124525) is 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole is C(=C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1nnco1)c1ccsc1.
What is the InChIKey of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole?
The InChIKey is MIMABTWTNSEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c1-2-4-23-19(3-1)5-8-20(26-23)14-28-21-9-6-18(7-10-21)22(24-27-25-16-29-24)13-17-11-12-30-15-17/h1-13,15-16H,14H2.
What are the key properties of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole?
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole has a molecular weight of 411.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 67124525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).