8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one

C15H10F2N2O — CID 142278595

IUPAC8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2ccc(F)c3nc[nH]c(=O)c23)cc1F
InChIInChI=1S/C15H10F2N2O/c1-8-2-3-9(6-12(8)17)10-4-5-11(16)14-13(10)15(20)19-7-18-14/h2-7H,1H3,(H,18,19,20)
InChIKeyLVMISYKOVHJORY-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.18
Rot. Bonds1

About 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one

8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 142278595) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one
PubChem CID142278595
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2ccc(F)c3nc[nH]c(=O)c23)cc1F
InChIInChI=1S/C15H10F2N2O/c1-8-2-3-9(6-12(8)17)10-4-5-11(16)14-13(10)15(20)19-7-18-14/h2-7H,1H3,(H,18,19,20)
InChIKeyLVMISYKOVHJORY-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608447
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 155354014
3-(3-fluoro-4-methylphenyl)-1H-pyridin-2-one
CID 53217607
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
8-chloro-5-methyl-3H-quinazolin-4-one
CID 136862978
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608358
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one (CID 142278595) is 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one is Cc1ccc(-c2ccc(F)c3nc[nH]c(=O)c23)cc1F.
What is the InChIKey of 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is LVMISYKOVHJORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c1-8-2-3-9(6-12(8)17)10-4-5-11(16)14-13(10)15(20)19-7-18-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one?
8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 272.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 142278595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).