8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione

C58H22N16O8 — CID 146248690

About 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione

8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione (PubChem CID 146248690) has the molecular formula C58H22N16O8 and a molecular weight of 1070.92 g/mol. Its IUPAC name is 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione.

Molecular Properties

• Compound Name: 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione
• PubChem CID: 146248690
• Molecular Formula: C58H22N16O8
• Molecular Weight: 1070.92 g/mol
• Exact Mass: 1070.18
• IUPAC Name: 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione
• SMILES: O=C1C(=O)c2nc(-c3ccc(-c4cnc5c(n4)C(=O)C(=O)c4nc(-c6ccc(-c7cnc8c(n7)C(=O)C(=O)c7nc(-c9ccc(-c%10cnc%11c(n%10)C(=O)C(=O)c%10nccnc%10-%11)cc9)cnc7-8)cc6)cnc4-5)cc3)cnc2-c2nccnc21
• InChI: InChI=1S/C58H22N16O8/c75-51-43-35(59-13-15-61-43)37-45(53(51)77)69-29(17-63-37)23-1-5-25(6-2-23)31-19-65-39-41-49(57(81)55(79)47(39)71-31)73-33(21-67-41)27-9-11-28(12-10-27)34-22-68-42-40-48(56(80)58(82)50(42)74-34)72-32(20-66-40)26-7-3-24(4-8-26)30-18-64-38-36-44(62-16-14-60-36)52(76)54(78)46(38)70-30/h1-22H
• InChIKey: OUFCGDDFMBNILJ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 342.80 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.92
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione?

The IUPAC name of 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione (CID 146248690) is 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione.

What is the SMILES notation for 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione?

The canonical SMILES for 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione is O=C1C(=O)c2nc(-c3ccc(-c4cnc5c(n4)C(=O)C(=O)c4nc(-c6ccc(-c7cnc8c(n7)C(=O)C(=O)c7nc(-c9ccc(-c%10cnc%11c(n%10)C(=O)C(=O)c%10nccnc%10-%11)cc9)cnc7-8)cc6)cnc4-5)cc3)cnc2-c2nccnc21.

What is the InChIKey of 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione?

The InChIKey is OUFCGDDFMBNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H22N16O8/c75-51-43-35(59-13-15-61-43)37-45(53(51)77)69-29(17-63-37)23-1-5-25(6-2-23)31-19-65-39-41-49(57(81)55(79)47(39)71-31)73-33(21-67-41)27-9-11-28(12-10-27)34-22-68-42-40-48(56(80)58(82)50(42)74-34)72-32(20-66-40)26-7-3-24(4-8-26)30-18-64-38-36-44(62-16-14-60-36)52(76)54(78)46(38)70-30/h1-22H.

What are the key properties of 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione?

8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione has a molecular weight of 1070.92 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-3-[4-[8-[4-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)phenyl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione is sourced from PubChem (CID 146248690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).