2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol

C16H12N2O3 — CID 4259340

IUPAC2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol
SMILESOc1cc2c(c3c(O)c4ccccc4c(O)c13)=NCCN=2
InChIInChI=1S/C16H12N2O3/c19-11-7-10-14(18-6-5-17-10)13-12(11)15(20)8-3-1-2-4-9(8)16(13)21/h1-4,7,19-21H,5-6H2
InChIKeyQERMMZDYAYIPNR-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.36
Rot. Bonds

About 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol

2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol (PubChem CID 4259340) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol.

Molecular Properties

Compound Name2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol
PubChem CID4259340
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol
SMILESOc1cc2c(c3c(O)c4ccccc4c(O)c13)=NCCN=2
InChIInChI=1S/C16H12N2O3/c19-11-7-10-14(18-6-5-17-10)13-12(11)15(20)8-3-1-2-4-9(8)16(13)21/h1-4,7,19-21H,5-6H2
InChIKeyQERMMZDYAYIPNR-UHFFFAOYSA-N
XLogP1.36
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol?
The IUPAC name of 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol (CID 4259340) is 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol.
What is the SMILES notation for 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol?
The canonical SMILES for 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol is Oc1cc2c(c3c(O)c4ccccc4c(O)c13)=NCCN=2.
What is the InChIKey of 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol?
The InChIKey is QERMMZDYAYIPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-11-7-10-14(18-6-5-17-10)13-12(11)15(20)8-3-1-2-4-9(8)16(13)21/h1-4,7,19-21H,5-6H2.
What are the key properties of 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol?
2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol has a molecular weight of 280.28 g/mol, XLogP of 1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphtho[3,2-f]quinoxaline-6,7,12-triol is sourced from PubChem (CID 4259340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).