5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol

C16H10F2N2O2 — CID 136707513

IUPAC5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol
SMILESOc1c2ccccc2c(O)c2c3c(c(F)c(F)c12)=NCCN=3
InChIInChI=1S/C16H10F2N2O2/c17-11-9-10(13-14(12(11)18)20-6-5-19-13)16(22)8-4-2-1-3-7(8)15(9)21/h1-4,21-22H,5-6H2
InChIKeyXWEINBSBVCIRFV-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.94
Rot. Bonds

About 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol

5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol (PubChem CID 136707513) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol.

Molecular Properties

Compound Name5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol
PubChem CID136707513
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol
SMILESOc1c2ccccc2c(O)c2c3c(c(F)c(F)c12)=NCCN=3
InChIInChI=1S/C16H10F2N2O2/c17-11-9-10(13-14(12(11)18)20-6-5-19-13)16(22)8-4-2-1-3-7(8)15(9)21/h1-4,21-22H,5-6H2
InChIKeyXWEINBSBVCIRFV-UHFFFAOYSA-N
XLogP1.94
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol?
The IUPAC name of 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol (CID 136707513) is 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol.
What is the SMILES notation for 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol?
The canonical SMILES for 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol is Oc1c2ccccc2c(O)c2c3c(c(F)c(F)c12)=NCCN=3.
What is the InChIKey of 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol?
The InChIKey is XWEINBSBVCIRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-11-9-10(13-14(12(11)18)20-6-5-19-13)16(22)8-4-2-1-3-7(8)15(9)21/h1-4,21-22H,5-6H2.
What are the key properties of 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol?
5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol has a molecular weight of 300.26 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2,3-dihydronaphtho[3,2-f]quinoxaline-7,12-diol is sourced from PubChem (CID 136707513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).