N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

C22H16N4O3S — CID 67203917

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 67203917) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
• PubChem CID: 67203917
• Molecular Formula: C22H16N4O3S
• Molecular Weight: 416.46 g/mol
• Exact Mass: 416.09
• IUPAC Name: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
• SMILES: Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3nnc(-c4ccco4)o3)c2c1
• InChI: InChI=1S/C22H16N4O3S/c1-12-9-13(2)19-14(10-12)15(11-16(23-19)18-6-4-8-30-18)20(27)24-22-26-25-21(29-22)17-5-3-7-28-17/h3-11H,1-2H3,(H,24,26,27)
• InChIKey: TYLHDRUVDSORPD-UHFFFAOYSA-N
• XLogP: 5.48
• 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	416.46
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?

The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 67203917) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?

The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3nnc(-c4ccco4)o3)c2c1.

What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?

The InChIKey is TYLHDRUVDSORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c1-12-9-13(2)19-14(10-12)15(11-16(23-19)18-6-4-8-30-18)20(27)24-22-26-25-21(29-22)17-5-3-7-28-17/h3-11H,1-2H3,(H,24,26,27).

What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 67203917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).