8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide

C20H11ClN4O4 — CID 67206871

About 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide

8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (PubChem CID 67206871) has the molecular formula C20H11ClN4O4 and a molecular weight of 406.79 g/mol. Its IUPAC name is 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
• PubChem CID: 67206871
• Molecular Formula: C20H11ClN4O4
• Molecular Weight: 406.79 g/mol
• Exact Mass: 406.05
• IUPAC Name: 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2c(Cl)cccc12
• InChI: InChI=1S/C20H11ClN4O4/c21-13-5-1-4-11-12(10-14(22-17(11)13)15-6-2-8-27-15)18(26)23-20-25-24-19(29-20)16-7-3-9-28-16/h1-10H,(H,23,25,26)
• InChIKey: LCPDKEKRNDSGDC-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 107.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.79
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?

The IUPAC name of 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (CID 67206871) is 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.

What is the SMILES notation for 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?

The canonical SMILES for 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2c(Cl)cccc12.

What is the InChIKey of 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?

The InChIKey is LCPDKEKRNDSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN4O4/c21-13-5-1-4-11-12(10-14(22-17(11)13)15-6-2-8-27-15)18(26)23-20-25-24-19(29-20)16-7-3-9-28-16/h1-10H,(H,23,25,26).

What are the key properties of 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?

8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 406.79 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 67206871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).