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

C22H22N4O6 — CID 158438350

IUPAC6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESO=C1C=C(NCCN(CCO)CCO)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21
InChIInChI=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
InChIKeyHCMVDEWCDBQTSR-UHFFFAOYSA-N
MW438.44 g/mol
LogP1.14
Rot. Bonds10

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 Name6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
PubChem CID158438350
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Name6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESO=C1C=C(NCCN(CCO)CCO)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21
InChIInChI=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
InChIKeyHCMVDEWCDBQTSR-UHFFFAOYSA-N
XLogP1.14
TPSA141.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Related Compounds

6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 159597297
2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione
CID 67566382
6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 67566890
2-[4-[2-[bis(2-hydroxyethyl)amino]ethylamino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
CID 70820244
6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol
CID 6412520
[2-(furan-2-yl)-3-pyridinyl]methanol
CID 91990185
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 59749146

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).