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

C14H8FN3O2 — CID 11076465

IUPAC6-(3-fluoroanilino)quinazoline-5,8-dione
SMILESO=C1C(Nc2cccc(F)c2)=CC(=O)c2ncncc21
InChIInChI=1S/C14H8FN3O2/c15-8-2-1-3-9(4-8)18-11-5-12(19)13-10(14(11)20)6-16-7-17-13/h1-7,18H
InChIKeyAGCFRWQWWOFZTR-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.99
Rot. Bonds2

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

6-(3-fluoroanilino)quinazoline-5,8-dione (PubChem CID 11076465) has the molecular formula C14H8FN3O2 and a molecular weight of 269.24 g/mol. Its IUPAC name is 6-(3-fluoroanilino)quinazoline-5,8-dione.

Molecular Properties

Compound Name6-(3-fluoroanilino)quinazoline-5,8-dione
PubChem CID11076465
Molecular FormulaC14H8FN3O2
Molecular Weight269.24 g/mol
Exact Mass269.06
IUPAC Name6-(3-fluoroanilino)quinazoline-5,8-dione
SMILESO=C1C(Nc2cccc(F)c2)=CC(=O)c2ncncc21
InChIInChI=1S/C14H8FN3O2/c15-8-2-1-3-9(4-8)18-11-5-12(19)13-10(14(11)20)6-16-7-17-13/h1-7,18H
InChIKeyAGCFRWQWWOFZTR-UHFFFAOYSA-N
XLogP1.99
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)quinazoline-5,8-dione?
The IUPAC name of 6-(3-fluoroanilino)quinazoline-5,8-dione (CID 11076465) is 6-(3-fluoroanilino)quinazoline-5,8-dione.
What is the SMILES notation for 6-(3-fluoroanilino)quinazoline-5,8-dione?
The canonical SMILES for 6-(3-fluoroanilino)quinazoline-5,8-dione is O=C1C(Nc2cccc(F)c2)=CC(=O)c2ncncc21.
What is the InChIKey of 6-(3-fluoroanilino)quinazoline-5,8-dione?
The InChIKey is AGCFRWQWWOFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2/c15-8-2-1-3-9(4-8)18-11-5-12(19)13-10(14(11)20)6-16-7-17-13/h1-7,18H.
What are the key properties of 6-(3-fluoroanilino)quinazoline-5,8-dione?
6-(3-fluoroanilino)quinazoline-5,8-dione has a molecular weight of 269.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)quinazoline-5,8-dione is sourced from PubChem (CID 11076465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).