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

C26H30N4O4 — CID 159597297

IUPAC6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESCCCCN(CCCC)CCNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O
InChIInChI=1S/C26H30N4O4/c1-3-5-12-30(13-6-4-2)14-11-27-18-17-19(31)22-25(26(18)32)29-24(21-10-8-16-34-21)23(28-22)20-9-7-15-33-20/h7-10,15-17,27H,3-6,11-14H2,1-2H3
InChIKeyMLAAWQXFHDNHJR-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.75
Rot. Bonds12

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

6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (PubChem CID 159597297) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.

Molecular Properties

Compound Name6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
PubChem CID159597297
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESCCCCN(CCCC)CCNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O
InChIInChI=1S/C26H30N4O4/c1-3-5-12-30(13-6-4-2)14-11-27-18-17-19(31)22-25(26(18)32)29-24(21-10-8-16-34-21)23(28-22)20-9-7-15-33-20/h7-10,15-17,27H,3-6,11-14H2,1-2H3
InChIKeyMLAAWQXFHDNHJR-UHFFFAOYSA-N
XLogP4.75
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 158438350
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
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441
1-[2-(dibutylamino)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 3488744
2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide
CID 101335016
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
N-butyl-2-(furan-2-yl)benzenesulfonamide
CID 168525566
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The IUPAC name of 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (CID 159597297) is 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.
What is the SMILES notation for 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The canonical SMILES for 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is CCCCN(CCCC)CCNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O.
What is the InChIKey of 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The InChIKey is MLAAWQXFHDNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-5-12-30(13-6-4-2)14-11-27-18-17-19(31)22-25(26(18)32)29-24(21-10-8-16-34-21)23(28-22)20-9-7-15-33-20/h7-10,15-17,27H,3-6,11-14H2,1-2H3.
What are the key properties of 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione has a molecular weight of 462.55 g/mol, XLogP of 4.75, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dibutylamino)ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is sourced from PubChem (CID 159597297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).