6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione

C₂₂H₂₂N₄O₆ — CID 158438350

About 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione

6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (PubChem CID 158438350) has the molecular formula C₂₂H₂₂N₄O₆ and a molecular weight of 438.44 g/mol. Its IUPAC name is 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.

Molecular Properties

• Compound Name: 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
• PubChem CID: 158438350
• Molecular Formula: C₂₂H₂₂N₄O₆
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.15
• IUPAC Name: 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
• SMILES: O=C1C=C(NCCN(CCO)CCO)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21
• InChI: InChI=1S/C22H22N4O6/c27-9-7-26(8-10-28)6-5-23-14-13-15(29)18-21(22(14)30)25-20(17-4-2-12-32-17)19(24-18)16-3-1-11-31-16/h1-4,11-13,23,27-28H,5-10H2
• InChIKey: HCMVDEWCDBQTSR-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 141.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?

The IUPAC name of 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (CID 158438350) is 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.

What is the SMILES notation for 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?

The canonical SMILES for 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is O=C1C=C(NCCN(CCO)CCO)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21.

What is the InChIKey of 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?

The InChIKey is HCMVDEWCDBQTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c27-9-7-26(8-10-28)6-5-23-14-13-15(29)18-21(22(14)30)25-20(17-4-2-12-32-17)19(24-18)16-3-1-11-31-16/h1-4,11-13,23,27-28H,5-10H2.

What are the key properties of 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?

6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione has a molecular weight of 438.44 g/mol, XLogP of 1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is sourced from PubChem (CID 158438350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158438350 — identifiers, structure, computed properties (public domain)

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