8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione

C11H11FN2O3 — CID 163261605

IUPAC8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)cccc2n(CCCO)c1=O
InChIInChI=1S/C11H11FN2O3/c12-7-3-1-4-8-9(7)13-10(16)11(17)14(8)5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16)
InChIKeyUWYKSRGCJWRATJ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.21
Rot. Bonds3

About 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione

8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione (PubChem CID 163261605) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
PubChem CID163261605
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)cccc2n(CCCO)c1=O
InChIInChI=1S/C11H11FN2O3/c12-7-3-1-4-8-9(7)13-10(16)11(17)14(8)5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16)
InChIKeyUWYKSRGCJWRATJ-UHFFFAOYSA-N
XLogP0.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione (CID 163261605) is 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2c(F)cccc2n(CCCO)c1=O.
What is the InChIKey of 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The InChIKey is UWYKSRGCJWRATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-3-1-4-8-9(7)13-10(16)11(17)14(8)5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16).
What are the key properties of 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione has a molecular weight of 238.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 163261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).