N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine

C41H32F2N4O2 — CID 23505913

About N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine

N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 23505913) has the molecular formula C41H32F2N4O2 and a molecular weight of 650.73 g/mol. Its IUPAC name is N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine
• PubChem CID: 23505913
• Molecular Formula: C41H32F2N4O2
• Molecular Weight: 650.73 g/mol
• Exact Mass: 650.25
• IUPAC Name: N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine
• SMILES: CN(Cc1ccccc1)Cc1cc2c3nnc(OCc4ccccc4)c-3cn(Cc3c(F)cccc3F)c2cc1-c1cc2ccccc2o1
• InChI: InChI=1S/C41H32F2N4O2/c1-46(22-27-11-4-2-5-12-27)23-30-19-32-37(21-31(30)39-20-29-15-8-9-18-38(29)49-39)47(24-33-35(42)16-10-17-36(33)43)25-34-40(32)44-45-41(34)48-26-28-13-6-3-7-14-28/h2-21,25H,22-24,26H2,1H3
• InChIKey: UESNRWXHAVCJLN-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 56.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.73
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine?

The IUPAC name of N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine (CID 23505913) is N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine.

What is the SMILES notation for N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine?

The canonical SMILES for N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1cc2c3nnc(OCc4ccccc4)c-3cn(Cc3c(F)cccc3F)c2cc1-c1cc2ccccc2o1.

What is the InChIKey of N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine?

The InChIKey is UESNRWXHAVCJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32F2N4O2/c1-46(22-27-11-4-2-5-12-27)23-30-19-32-37(21-31(30)39-20-29-15-8-9-18-38(29)49-39)47(24-33-35(42)16-10-17-36(33)43)25-34-40(32)44-45-41(34)48-26-28-13-6-3-7-14-28/h2-21,25H,22-24,26H2,1H3.

What are the key properties of N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine?

N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 650.73 g/mol, XLogP of 9.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 23505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).