6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C21H13BrN4O3S — CID 67205544

About 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 67205544) has the molecular formula C21H13BrN4O3S and a molecular weight of 481.33 g/mol. Its IUPAC name is 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• PubChem CID: 67205544
• Molecular Formula: C21H13BrN4O3S
• Molecular Weight: 481.33 g/mol
• Exact Mass: 479.99
• IUPAC Name: 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3cc(Br)ccc3n2)s1
• InChI: InChI=1S/C21H13BrN4O3S/c1-11-4-7-18(30-11)16-10-14(13-9-12(22)5-6-15(13)23-16)19(27)24-21-26-25-20(29-21)17-3-2-8-28-17/h2-10H,1H3,(H,24,26,27)
• InChIKey: OHRLQOVZUMHOTC-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.33
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The IUPAC name of 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 67205544) is 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3cc(Br)ccc3n2)s1.

What is the InChIKey of 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

The InChIKey is OHRLQOVZUMHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN4O3S/c1-11-4-7-18(30-11)16-10-14(13-9-12(22)5-6-15(13)23-16)19(27)24-21-26-25-20(29-21)17-3-2-8-28-17/h2-10H,1H3,(H,24,26,27).

What are the key properties of 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?

6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 481.33 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 67205544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).