2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid

C17H10N2O4 — CID 774142

IUPAC2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C17H10N2O4/c20-17(21)10-5-6-11-12(9-10)19-16(14-4-2-8-23-14)15(18-11)13-3-1-7-22-13/h1-9H,(H,20,21)
InChIKeyXDEQHYWMTHWMQF-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.85
Rot. Bonds3

About 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid

2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid (PubChem CID 774142) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid
PubChem CID774142
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C17H10N2O4/c20-17(21)10-5-6-11-12(9-10)19-16(14-4-2-8-23-14)15(18-11)13-3-1-7-22-13/h1-9H,(H,20,21)
InChIKeyXDEQHYWMTHWMQF-UHFFFAOYSA-N
XLogP3.85
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid (CID 774142) is 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid?
The InChIKey is XDEQHYWMTHWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c20-17(21)10-5-6-11-12(9-10)19-16(14-4-2-8-23-14)15(18-11)13-3-1-7-22-13/h1-9H,(H,20,21).
What are the key properties of 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid?
2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 774142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).