3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione

C16H12FNO3 — CID 2784228

IUPAC3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(F)(c1ccccc1)C2=O
InChIInChI=1S/C16H12FNO3/c1-21-12-9-5-8-11-13(12)18-15(20)16(17,14(11)19)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,20)
InChIKeyDOPGZLUPCHYGIZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.69
Rot. Bonds2

About 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione

3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2784228) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2784228
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(F)(c1ccccc1)C2=O
InChIInChI=1S/C16H12FNO3/c1-21-12-9-5-8-11-13(12)18-15(20)16(17,14(11)19)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,20)
InChIKeyDOPGZLUPCHYGIZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione (CID 2784228) is 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione is COc1cccc2c1NC(=O)C(F)(c1ccccc1)C2=O.
What is the InChIKey of 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is DOPGZLUPCHYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-21-12-9-5-8-11-13(12)18-15(20)16(17,14(11)19)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,20).
What are the key properties of 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 285.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxy-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2784228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).