6-(3-fluoroanilino)quinoline-5,8-dione

C15H9FN2O2 — CID 10445727

IUPAC6-(3-fluoroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2cccc(F)c2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H9FN2O2/c16-9-3-1-4-10(7-9)18-12-8-13(19)14-11(15(12)20)5-2-6-17-14/h1-8,18H
InChIKeyNTHDUEPLVVPGEX-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.60
Rot. Bonds2

About 6-(3-fluoroanilino)quinoline-5,8-dione

6-(3-fluoroanilino)quinoline-5,8-dione (PubChem CID 10445727) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 6-(3-fluoroanilino)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(3-fluoroanilino)quinoline-5,8-dione
PubChem CID10445727
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name6-(3-fluoroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2cccc(F)c2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H9FN2O2/c16-9-3-1-4-10(7-9)18-12-8-13(19)14-11(15(12)20)5-2-6-17-14/h1-8,18H
InChIKeyNTHDUEPLVVPGEX-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)quinoline-5,8-dione?
The IUPAC name of 6-(3-fluoroanilino)quinoline-5,8-dione (CID 10445727) is 6-(3-fluoroanilino)quinoline-5,8-dione.
What is the SMILES notation for 6-(3-fluoroanilino)quinoline-5,8-dione?
The canonical SMILES for 6-(3-fluoroanilino)quinoline-5,8-dione is O=C1C(Nc2cccc(F)c2)=CC(=O)c2ncccc21.
What is the InChIKey of 6-(3-fluoroanilino)quinoline-5,8-dione?
The InChIKey is NTHDUEPLVVPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-9-3-1-4-10(7-9)18-12-8-13(19)14-11(15(12)20)5-2-6-17-14/h1-8,18H.
What are the key properties of 6-(3-fluoroanilino)quinoline-5,8-dione?
6-(3-fluoroanilino)quinoline-5,8-dione has a molecular weight of 268.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)quinoline-5,8-dione is sourced from PubChem (CID 10445727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).