quinoxaline-5,6,7,8-tetracarboxylic acid

C12H6N2O8 — CID 139964539

IUPACquinoxaline-5,6,7,8-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2nccnc2c1C(=O)O
InChIInChI=1S/C12H6N2O8/c15-9(16)3-4(10(17)18)6(12(21)22)8-7(5(3)11(19)20)13-1-2-14-8/h1-2H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyHEFYPLVGSBOGHQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP0.42
Rot. Bonds4

About quinoxaline-5,6,7,8-tetracarboxylic acid

quinoxaline-5,6,7,8-tetracarboxylic acid (PubChem CID 139964539) has the molecular formula C12H6N2O8 and a molecular weight of 306.19 g/mol. Its IUPAC name is quinoxaline-5,6,7,8-tetracarboxylic acid.

Molecular Properties

Compound Namequinoxaline-5,6,7,8-tetracarboxylic acid
PubChem CID139964539
Molecular FormulaC12H6N2O8
Molecular Weight306.19 g/mol
Exact Mass306.01
IUPAC Namequinoxaline-5,6,7,8-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2nccnc2c1C(=O)O
InChIInChI=1S/C12H6N2O8/c15-9(16)3-4(10(17)18)6(12(21)22)8-7(5(3)11(19)20)13-1-2-14-8/h1-2H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyHEFYPLVGSBOGHQ-UHFFFAOYSA-N
XLogP0.42
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 83680885
2H-benzotriazole-4,5,6,7-tetracarboxylic acid
CID 139967596
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
quinoline-3,5,6,7,8-pentacarboxylic acid
CID 22158723
carbonodithioic S,S-acid;5,8-dimethylquinoxaline
CID 88932901
quinoline-7,8-dicarboxylic acid
CID 19101920
5-hydroxyquinoxaline-6-carboxylic acid
CID 135742585
7-fluoroquinoline-8-carboxylic acid
CID 71721093
pyrido[2,3-b]indolizine-10-carboxylic acid
CID 112545488
2-bromofuro[3,2-b]pyridine-3-carboxylic acid
CID 82622087
7-methoxyquinoline-8-carboxylic acid
CID 68774583
6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 166104245

Frequently Asked Questions

What is the IUPAC name of quinoxaline-5,6,7,8-tetracarboxylic acid?
The IUPAC name of quinoxaline-5,6,7,8-tetracarboxylic acid (CID 139964539) is quinoxaline-5,6,7,8-tetracarboxylic acid.
What is the SMILES notation for quinoxaline-5,6,7,8-tetracarboxylic acid?
The canonical SMILES for quinoxaline-5,6,7,8-tetracarboxylic acid is O=C(O)c1c(C(=O)O)c(C(=O)O)c2nccnc2c1C(=O)O.
What is the InChIKey of quinoxaline-5,6,7,8-tetracarboxylic acid?
The InChIKey is HEFYPLVGSBOGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O8/c15-9(16)3-4(10(17)18)6(12(21)22)8-7(5(3)11(19)20)13-1-2-14-8/h1-2H,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of quinoxaline-5,6,7,8-tetracarboxylic acid?
quinoxaline-5,6,7,8-tetracarboxylic acid has a molecular weight of 306.19 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-5,6,7,8-tetracarboxylic acid is sourced from PubChem (CID 139964539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).