3-(2-fluorophenyl)quinazolin-4-one

C14H9FN2O — CID 613587

IUPAC3-(2-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1F
InChIInChI=1S/C14H9FN2O/c15-11-6-2-4-8-13(11)17-9-16-12-7-3-1-5-10(12)14(17)18/h1-9H
InChIKeyUQQDBFGCCOCPAG-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.52
Rot. Bonds1

About 3-(2-fluorophenyl)quinazolin-4-one

3-(2-fluorophenyl)quinazolin-4-one (PubChem CID 613587) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)quinazolin-4-one
PubChem CID613587
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name3-(2-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1F
InChIInChI=1S/C14H9FN2O/c15-11-6-2-4-8-13(11)17-9-16-12-7-3-1-5-10(12)14(17)18/h1-9H
InChIKeyUQQDBFGCCOCPAG-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)quinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)quinazolin-4-one (CID 613587) is 3-(2-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)quinazolin-4-one?
The InChIKey is UQQDBFGCCOCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-11-6-2-4-8-13(11)17-9-16-12-7-3-1-5-10(12)14(17)18/h1-9H.
What are the key properties of 3-(2-fluorophenyl)quinazolin-4-one?
3-(2-fluorophenyl)quinazolin-4-one has a molecular weight of 240.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 613587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).