2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline

C41H23N9O2 — CID 141109260

About 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline

2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline (PubChem CID 141109260) has the molecular formula C41H23N9O2 and a molecular weight of 673.70 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline
• PubChem CID: 141109260
• Molecular Formula: C41H23N9O2
• Molecular Weight: 673.70 g/mol
• Exact Mass: 673.20
• IUPAC Name: 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline
• SMILES: c1cnc(-c2c(-c3cccnn3)c(-c3nccc4ccccc34)c3oc(-c4ccco4)c(-c4cnc5ccccc5n4)c3c2-c2cnccn2)nc1
• InChI: InChI=1S/C41H23N9O2/c1-2-9-25-24(8-1)14-18-44-38(25)37-32(28-12-5-17-48-50-28)36(41-45-15-7-16-46-41)33(29-22-42-19-20-43-29)35-34(39(52-40(35)37)31-13-6-21-51-31)30-23-47-26-10-3-4-11-27(26)49-30/h1-23H
• InChIKey: WYJGZRJYVBNNRP-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 142.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	673.70
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline?

The IUPAC name of 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline (CID 141109260) is 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline.

What is the SMILES notation for 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline?

The canonical SMILES for 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline is c1cnc(-c2c(-c3cccnn3)c(-c3nccc4ccccc34)c3oc(-c4ccco4)c(-c4cnc5ccccc5n4)c3c2-c2cnccn2)nc1.

What is the InChIKey of 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline?

The InChIKey is WYJGZRJYVBNNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N9O2/c1-2-9-25-24(8-1)14-18-44-38(25)37-32(28-12-5-17-48-50-28)36(41-45-15-7-16-46-41)33(29-22-42-19-20-43-29)35-34(39(52-40(35)37)31-13-6-21-51-31)30-23-47-26-10-3-4-11-27(26)49-30/h1-23H.

What are the key properties of 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline?

2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline has a molecular weight of 673.70 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-7-isoquinolin-1-yl-4-pyrazin-2-yl-6-pyridazin-3-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]quinoxaline is sourced from PubChem (CID 141109260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).