4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol

C10H13FN2O2 — CID 140977033

IUPAC4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol
SMILESCCN1c2ccc(F)cc2NC(O)C1O
InChIInChI=1S/C10H13FN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(14)10(13)15/h3-5,9-10,12,14-15H,2H2,1H3
InChIKeyYNSMXYHNHGWEHY-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.71
Rot. Bonds1

About 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol

4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol (PubChem CID 140977033) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol.

Molecular Properties

Compound Name4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol
PubChem CID140977033
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol
SMILESCCN1c2ccc(F)cc2NC(O)C1O
InChIInChI=1S/C10H13FN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(14)10(13)15/h3-5,9-10,12,14-15H,2H2,1H3
InChIKeyYNSMXYHNHGWEHY-UHFFFAOYSA-N
XLogP0.71
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol?
The IUPAC name of 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol (CID 140977033) is 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol.
What is the SMILES notation for 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol?
The canonical SMILES for 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol is CCN1c2ccc(F)cc2NC(O)C1O.
What is the InChIKey of 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol?
The InChIKey is YNSMXYHNHGWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(14)10(13)15/h3-5,9-10,12,14-15H,2H2,1H3.
What are the key properties of 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol?
4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol has a molecular weight of 212.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-2,3-dihydro-1H-quinoxaline-2,3-diol is sourced from PubChem (CID 140977033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).