6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one

C17H8N2O3S2 — CID 102200324

IUPAC6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one
SMILESO=c1sc2cc3nc(-c4ccco4)c(-c4ccco4)nc3cc2s1
InChIInChI=1S/C17H8N2O3S2/c20-17-23-13-7-9-10(8-14(13)24-17)19-16(12-4-2-6-22-12)15(18-9)11-3-1-5-21-11/h1-8H
InChIKeyVDWGVJKRTZFTDZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.79
Rot. Bonds2

About 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one

6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one (PubChem CID 102200324) has the molecular formula C17H8N2O3S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one.

Molecular Properties

Compound Name6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one
PubChem CID102200324
Molecular FormulaC17H8N2O3S2
Molecular Weight352.40 g/mol
Exact Mass352.00
IUPAC Name6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one
SMILESO=c1sc2cc3nc(-c4ccco4)c(-c4ccco4)nc3cc2s1
InChIInChI=1S/C17H8N2O3S2/c20-17-23-13-7-9-10(8-14(13)24-17)19-16(12-4-2-6-22-12)15(18-9)11-3-1-5-21-11/h1-8H
InChIKeyVDWGVJKRTZFTDZ-UHFFFAOYSA-N
XLogP4.79
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
2,3-bis(furan-2-yl)quinoxalin-5-ol
CID 135525871
2,3,5-trichloro-6-(furan-2-yl)pyridine
CID 102752579
2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
CID 10446437
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
CID 158867521
7-(furan-2-yl)-1,3-dihydro-[1,2,5]oxadiazolo[3,4-b][1,4]diazepin-5-one
CID 595399
2-(furan-2-yl)thiochromen-4-one
CID 154715436
4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 23112572

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one?
The IUPAC name of 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one (CID 102200324) is 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one.
What is the SMILES notation for 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one?
The canonical SMILES for 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one is O=c1sc2cc3nc(-c4ccco4)c(-c4ccco4)nc3cc2s1.
What is the InChIKey of 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one?
The InChIKey is VDWGVJKRTZFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N2O3S2/c20-17-23-13-7-9-10(8-14(13)24-17)19-16(12-4-2-6-22-12)15(18-9)11-3-1-5-21-11/h1-8H.
What are the key properties of 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one?
6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one has a molecular weight of 352.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one is sourced from PubChem (CID 102200324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).