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

C44H27N11O2 — CID 141121705

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

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline (PubChem CID 141121705) has the molecular formula C44H27N11O2 and a molecular weight of 741.78 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline
• PubChem CID: 141121705
• Molecular Formula: C44H27N11O2
• Molecular Weight: 741.78 g/mol
• Exact Mass: 741.23
• IUPAC Name: 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline
• SMILES: c1cnc(-c2c3c(c(-c4cnc5ccccc5n4)c(-c4ccc5ccccc5n4)c2-c2cccnn2)C(c2ncc[nH]2)C(c2cnccn2)(c2ccco2)O3)nc1
• InChI: InChI=1S/C44H27N11O2/c1-2-9-27-26(8-1)14-15-30(53-27)35-36(31-12-5-18-52-55-31)39(42-47-16-7-17-48-42)41-38(37(35)32-24-51-28-10-3-4-11-29(28)54-32)40(43-49-21-22-50-43)44(57-41,34-13-6-23-56-34)33-25-45-19-20-46-33/h1-25,40H,(H,49,50)
• InChIKey: MTWLWLHFQOWQPV-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 167.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	741.78
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline (CID 141121705) is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline.

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

The canonical SMILES for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline is c1cnc(-c2c3c(c(-c4cnc5ccccc5n4)c(-c4ccc5ccccc5n4)c2-c2cccnn2)C(c2ncc[nH]2)C(c2cnccn2)(c2ccco2)O3)nc1.

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

The InChIKey is MTWLWLHFQOWQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N11O2/c1-2-9-27-26(8-1)14-15-30(53-27)35-36(31-12-5-18-52-55-31)39(42-47-16-7-17-48-42)41-38(37(35)32-24-51-28-10-3-4-11-29(28)54-32)40(43-49-21-22-50-43)44(57-41,34-13-6-23-56-34)33-25-45-19-20-46-33/h1-25,40H,(H,49,50).

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

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline has a molecular weight of 741.78 g/mol, XLogP of 8.00, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-6-pyridazin-3-yl-7-pyrimidin-2-yl-5-quinolin-2-yl-3H-1-benzofuran-4-yl]quinoxaline is sourced from PubChem (CID 141121705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).