3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide

C26H24N4O2 — CID 108805486

About 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 108805486) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 108805486
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3oc4ccccc4c3C)cc(C)c2c1
• InChI: InChI=1S/C26H24N4O2/c1-14-10-16(3)24-20(11-14)15(2)12-22(27-24)30-23(13-17(4)29-30)28-26(31)25-18(5)19-8-6-7-9-21(19)32-25/h6-13H,1-5H3,(H,28,31)
• InChIKey: AHPRJIAFPWYJOF-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide (CID 108805486) is 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide is Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3oc4ccccc4c3C)cc(C)c2c1.

What is the InChIKey of 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?

The InChIKey is AHPRJIAFPWYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-14-10-16(3)24-20(11-14)15(2)12-22(27-24)30-23(13-17(4)29-30)28-26(31)25-18(5)19-8-6-7-9-21(19)32-25/h6-13H,1-5H3,(H,28,31).

What are the key properties of 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?

3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108805486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).