6-fluoro-8H-quinazolin-4-one

C8H5FN2O — CID 90734363

IUPAC6-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(F)C=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyXLMWVUPWIJFRKJ-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.18
Rot. Bonds

About 6-fluoro-8H-quinazolin-4-one

6-fluoro-8H-quinazolin-4-one (PubChem CID 90734363) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 6-fluoro-8H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-8H-quinazolin-4-one
PubChem CID90734363
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name6-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(F)C=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyXLMWVUPWIJFRKJ-UHFFFAOYSA-N
XLogP1.18
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8H-quinazolin-4-one?
The IUPAC name of 6-fluoro-8H-quinazolin-4-one (CID 90734363) is 6-fluoro-8H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-8H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-8H-quinazolin-4-one is O=C1N=CN=C2CC=C(F)C=C12.
What is the InChIKey of 6-fluoro-8H-quinazolin-4-one?
The InChIKey is XLMWVUPWIJFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2.
What are the key properties of 6-fluoro-8H-quinazolin-4-one?
6-fluoro-8H-quinazolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8H-quinazolin-4-one is sourced from PubChem (CID 90734363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).