2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione

C23H22N4O4 — CID 67566382

IUPAC2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione
SMILESO=C1C=C(NCCCN2CCCC2)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21
InChIInChI=1S/C23H22N4O4/c28-16-14-15(24-8-5-11-27-9-1-2-10-27)23(29)22-19(16)25-20(17-6-3-12-30-17)21(26-22)18-7-4-13-31-18/h3-4,6-7,12-14,24H,1-2,5,8-11H2
InChIKeyADISJSBQTKLAIL-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.34
Rot. Bonds7

About 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione

2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione (PubChem CID 67566382) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione.

Molecular Properties

Compound Name2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione
PubChem CID67566382
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione
SMILESO=C1C=C(NCCCN2CCCC2)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21
InChIInChI=1S/C23H22N4O4/c28-16-14-15(24-8-5-11-27-9-1-2-10-27)23(29)22-19(16)25-20(17-6-3-12-30-17)21(26-22)18-7-4-13-31-18/h3-4,6-7,12-14,24H,1-2,5,8-11H2
InChIKeyADISJSBQTKLAIL-UHFFFAOYSA-N
XLogP3.34
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 67566890
6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 159597297
6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 158438350
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
2-(2,6-difluorophenyl)-5-(2-pyrrolidin-1-ylethylamino)-1,3-benzothiazole-4,7-dione
CID 10126550
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18826346
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-pyrrolidin-1-ylethylamino)-1,3-benzoxazole-4,7-dione
CID 69221584
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
2-(3-fluoro-4-methylphenyl)-5-(2-pyrrolidin-1-ylethylamino)-1,3-benzoxazole-4,7-dione
CID 67210392
6-(2-pyrrolidin-1-ylethylamino)-2-(2,4,6-trifluorophenyl)-1,3-benzothiazole-4,7-dione
CID 67211417
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione?
The IUPAC name of 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione (CID 67566382) is 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione.
What is the SMILES notation for 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione?
The canonical SMILES for 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione is O=C1C=C(NCCCN2CCCC2)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21.
What is the InChIKey of 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione?
The InChIKey is ADISJSBQTKLAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-16-14-15(24-8-5-11-27-9-1-2-10-27)23(29)22-19(16)25-20(17-6-3-12-30-17)21(26-22)18-7-4-13-31-18/h3-4,6-7,12-14,24H,1-2,5,8-11H2.
What are the key properties of 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione?
2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione has a molecular weight of 418.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(furan-2-yl)-6-(3-pyrrolidin-1-ylpropylamino)quinoxaline-5,8-dione is sourced from PubChem (CID 67566382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).