[2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C25H21N5O3S — CID 55500575

About [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

[2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55500575) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 55500575
• Molecular Formula: C25H21N5O3S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.14
• IUPAC Name: [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C25H21N5O3S/c31-25(18-15-20(21-7-3-13-32-21)26-19-6-2-1-5-17(18)19)30-11-9-29(10-12-30)16-23-27-24(28-33-23)22-8-4-14-34-22/h1-8,13-15H,9-12,16H2
• InChIKey: NCCYVFAGCUMCOV-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 88.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 55500575) is [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(Cc2nc(-c3cccs3)no2)CC1.

What is the InChIKey of [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is NCCYVFAGCUMCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c31-25(18-15-20(21-7-3-13-32-21)26-19-6-2-1-5-17(18)19)30-11-9-29(10-12-30)16-23-27-24(28-33-23)22-8-4-14-34-22/h1-8,13-15H,9-12,16H2.

What are the key properties of [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

[2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 471.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55500575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).