2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol

C14H10N2O4 — CID 136947775

IUPAC2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol
SMILESOc1ccc(-c2cnc3cc(O)c(O)cc3n2)cc1O
InChIInChI=1S/C14H10N2O4/c17-11-2-1-7(3-12(11)18)10-6-15-8-4-13(19)14(20)5-9(8)16-10/h1-6,17-20H
InChIKeySVWIZWWNPVUUMW-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.12
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol

2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol (PubChem CID 136947775) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol
PubChem CID136947775
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol
SMILESOc1ccc(-c2cnc3cc(O)c(O)cc3n2)cc1O
InChIInChI=1S/C14H10N2O4/c17-11-2-1-7(3-12(11)18)10-6-15-8-4-13(19)14(20)5-9(8)16-10/h1-6,17-20H
InChIKeySVWIZWWNPVUUMW-UHFFFAOYSA-N
XLogP2.12
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol?
The IUPAC name of 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol (CID 136947775) is 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol is Oc1ccc(-c2cnc3cc(O)c(O)cc3n2)cc1O.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol?
The InChIKey is SVWIZWWNPVUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-11-2-1-7(3-12(11)18)10-6-15-8-4-13(19)14(20)5-9(8)16-10/h1-6,17-20H.
What are the key properties of 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol?
2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol has a molecular weight of 270.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol is sourced from PubChem (CID 136947775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).