3-phenyl-7-(trifluoromethyl)quinazolin-4-one

C15H9F3N2O — CID 122231909

IUPAC3-phenyl-7-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2ccc(C(F)(F)F)cc2ncn1-c1ccccc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-6-7-12-13(8-10)19-9-20(14(12)21)11-4-2-1-3-5-11/h1-9H
InChIKeyRDRHVKJJUVDSCD-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.40
Rot. Bonds1

About 3-phenyl-7-(trifluoromethyl)quinazolin-4-one

3-phenyl-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 122231909) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-phenyl-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-7-(trifluoromethyl)quinazolin-4-one
PubChem CID122231909
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-phenyl-7-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2ccc(C(F)(F)F)cc2ncn1-c1ccccc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-6-7-12-13(8-10)19-9-20(14(12)21)11-4-2-1-3-5-11/h1-9H
InChIKeyRDRHVKJJUVDSCD-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Afloqualone
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4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
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3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
3-Methyl-4(3H)-quinazolinone
CID 17088
Glycorine
CID 18992
3-phenyl-3H-quinazolin-4-one
CID 785275
Arborine
CID 63123
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One
CID 135566970
11H-Pyrido(2,1-b)quinazolin-11-one
CID 68478
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-phenyl-7-(trifluoromethyl)quinazolin-4-one (CID 122231909) is 3-phenyl-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-phenyl-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-phenyl-7-(trifluoromethyl)quinazolin-4-one is O=c1c2ccc(C(F)(F)F)cc2ncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is RDRHVKJJUVDSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)10-6-7-12-13(8-10)19-9-20(14(12)21)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-phenyl-7-(trifluoromethyl)quinazolin-4-one?
3-phenyl-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 290.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 122231909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).