7-fluoro-3H-quinazolin-4-one

C8H5FN2O — CID 135398496

IUPAC7-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(F)ccc12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKeyKCORZHJVTZIZFD-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.06
Rot. Bonds

About 7-fluoro-3H-quinazolin-4-one

7-fluoro-3H-quinazolin-4-one (PubChem CID 135398496) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 7-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3H-quinazolin-4-one
PubChem CID135398496
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name7-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(F)ccc12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKeyKCORZHJVTZIZFD-UHFFFAOYSA-N
XLogP1.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-3H-quinazolin-4-one (CID 135398496) is 7-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-3H-quinazolin-4-one is O=c1[nH]cnc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-3H-quinazolin-4-one?
The InChIKey is KCORZHJVTZIZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12).
What are the key properties of 7-fluoro-3H-quinazolin-4-one?
7-fluoro-3H-quinazolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 135398496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).