5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

C14H9FN2O2 — CID 136608447

IUPAC5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(O)ccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H9FN2O2/c15-9-3-1-8(2-4-9)10-5-6-11(18)13-12(10)14(19)17-7-16-13/h1-7,18H,(H,16,17,19)
InChIKeyGTOUNWNNFIIPKK-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.43
Rot. Bonds1

About 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one (PubChem CID 136608447) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
PubChem CID136608447
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(O)ccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H9FN2O2/c15-9-3-1-8(2-4-9)10-5-6-11(18)13-12(10)14(19)17-7-16-13/h1-7,18H,(H,16,17,19)
InChIKeyGTOUNWNNFIIPKK-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608358
8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one
CID 142278595
5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 727600
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
5-chloro-6-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
CID 136608366
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 155354014
15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 22574188
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one
CID 155728191
[4-(4-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 10535740
methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate
CID 169243031
5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438996

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one (CID 136608447) is 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one is O=c1[nH]cnc2c(O)ccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The InChIKey is GTOUNWNNFIIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-3-1-8(2-4-9)10-5-6-11(18)13-12(10)14(19)17-7-16-13/h1-7,18H,(H,16,17,19).
What are the key properties of 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one has a molecular weight of 256.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 136608447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).