5-fluoro-7,8-dihydro-3H-quinazolin-4-one

C8H7FN2O — CID 175701927

IUPAC5-fluoro-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c1C(F)=CCC2
InChIInChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h2,4H,1,3H2,(H,10,11,12)
InChIKeyPZSXBMPSYFMRFU-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.03
Rot. Bonds

About 5-fluoro-7,8-dihydro-3H-quinazolin-4-one

5-fluoro-7,8-dihydro-3H-quinazolin-4-one (PubChem CID 175701927) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 5-fluoro-7,8-dihydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7,8-dihydro-3H-quinazolin-4-one
PubChem CID175701927
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name5-fluoro-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c1C(F)=CCC2
InChIInChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h2,4H,1,3H2,(H,10,11,12)
InChIKeyPZSXBMPSYFMRFU-UHFFFAOYSA-N
XLogP1.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-7,8-dihydro-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,8-dihydro-3H-quinazolin-4-one?
The IUPAC name of 5-fluoro-7,8-dihydro-3H-quinazolin-4-one (CID 175701927) is 5-fluoro-7,8-dihydro-3H-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7,8-dihydro-3H-quinazolin-4-one?
The canonical SMILES for 5-fluoro-7,8-dihydro-3H-quinazolin-4-one is O=c1[nH]cnc2c1C(F)=CCC2.
What is the InChIKey of 5-fluoro-7,8-dihydro-3H-quinazolin-4-one?
The InChIKey is PZSXBMPSYFMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h2,4H,1,3H2,(H,10,11,12).
What are the key properties of 5-fluoro-7,8-dihydro-3H-quinazolin-4-one?
5-fluoro-7,8-dihydro-3H-quinazolin-4-one has a molecular weight of 166.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,8-dihydro-3H-quinazolin-4-one is sourced from PubChem (CID 175701927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).