2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid

C15H12N4O4 — CID 136634182

IUPAC2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2nc3ccccc3nc2NO)ccc1O
InChIInChI=1S/C15H12N4O4/c20-12-6-5-8(7-9(12)15(21)22)16-13-14(19-23)18-11-4-2-1-3-10(11)17-13/h1-7,20,23H,(H,16,17)(H,18,19)(H,21,22)
InChIKeyQUKXFCFNRWWEIY-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.58
Rot. Bonds4

About 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid

2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid (PubChem CID 136634182) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid
PubChem CID136634182
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2nc3ccccc3nc2NO)ccc1O
InChIInChI=1S/C15H12N4O4/c20-12-6-5-8(7-9(12)15(21)22)16-13-14(19-23)18-11-4-2-1-3-10(11)17-13/h1-7,20,23H,(H,16,17)(H,18,19)(H,21,22)
InChIKeyQUKXFCFNRWWEIY-UHFFFAOYSA-N
XLogP2.58
TPSA127.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid (CID 136634182) is 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid is O=C(O)c1cc(Nc2nc3ccccc3nc2NO)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid?
The InChIKey is QUKXFCFNRWWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-12-6-5-8(7-9(12)15(21)22)16-13-14(19-23)18-11-4-2-1-3-10(11)17-13/h1-7,20,23H,(H,16,17)(H,18,19)(H,21,22).
What are the key properties of 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid?
2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid has a molecular weight of 312.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[3-(hydroxyamino)quinoxalin-2-yl]amino]benzoic acid is sourced from PubChem (CID 136634182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).