2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid

C21H14N2O4 — CID 978546

IUPAC2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C21H14N2O4/c24-15-5-1-3-12(9-15)19-20(13-4-2-6-16(25)10-13)23-18-11-14(21(26)27)7-8-17(18)22-19/h1-11,24-25H,(H,26,27)
InChIKeyUKKBZXDYLWHXLI-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.07
Rot. Bonds3

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

2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid (PubChem CID 978546) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid
PubChem CID978546
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C21H14N2O4/c24-15-5-1-3-12(9-15)19-20(13-4-2-6-16(25)10-13)23-18-11-14(21(26)27)7-8-17(18)22-19/h1-11,24-25H,(H,26,27)
InChIKeyUKKBZXDYLWHXLI-UHFFFAOYSA-N
XLogP4.07
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid (CID 978546) is 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid?
The InChIKey is UKKBZXDYLWHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-15-5-1-3-12(9-15)19-20(13-4-2-6-16(25)10-13)23-18-11-14(21(26)27)7-8-17(18)22-19/h1-11,24-25H,(H,26,27).
What are the key properties of 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid?
2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-hydroxyphenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 978546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).