8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

C11H8FNO3 — CID 139461199

IUPAC8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESO=C1OC2c3ccc(F)cc3CCN2C1=O
InChIInChI=1S/C11H8FNO3/c12-7-1-2-8-6(5-7)3-4-13-9(14)11(15)16-10(8)13/h1-2,5,10H,3-4H2
InChIKeyQXERWJSLLYPLSS-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.77
Rot. Bonds

About 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 139461199) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID139461199
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESO=C1OC2c3ccc(F)cc3CCN2C1=O
InChIInChI=1S/C11H8FNO3/c12-7-1-2-8-6(5-7)3-4-13-9(14)11(15)16-10(8)13/h1-2,5,10H,3-4H2
InChIKeyQXERWJSLLYPLSS-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 139461199) is 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is O=C1OC2c3ccc(F)cc3CCN2C1=O.
What is the InChIKey of 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is QXERWJSLLYPLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-7-1-2-8-6(5-7)3-4-13-9(14)11(15)16-10(8)13/h1-2,5,10H,3-4H2.
What are the key properties of 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 221.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 139461199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).