6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one

C9H3Br2F3N2O — CID 154222644

IUPAC6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C9H3Br2F3N2O/c10-3-1-4-6(5(11)2-3)15-8(9(12,13)14)16-7(4)17/h1-2H,(H,15,16,17)
InChIKeyKBIHHSXVMGLFPQ-UHFFFAOYSA-N
MW371.94 g/mol
LogP3.47
Rot. Bonds

About 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one

6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 154222644) has the molecular formula C9H3Br2F3N2O and a molecular weight of 371.94 g/mol. Its IUPAC name is 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID154222644
Molecular FormulaC9H3Br2F3N2O
Molecular Weight371.94 g/mol
Exact Mass369.86
IUPAC Name6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C9H3Br2F3N2O/c10-3-1-4-6(5(11)2-3)15-8(9(12,13)14)16-7(4)17/h1-2H,(H,15,16,17)
InChIKeyKBIHHSXVMGLFPQ-UHFFFAOYSA-N
XLogP3.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.94
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-chloro-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 137178984
6,8-dibromo-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135781280
2-[(benzhydrylamino)methyl]-6,8-dibromo-3H-quinazolin-4-one
CID 135457231
2-[(E)-2-anilinoethenyl]-6,8-dibromo-3H-quinazolin-4-one
CID 164609597
7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 136757886
6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137176452
6-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
2-[(4-acetylpiperazin-1-yl)methyl]-6,8-dibromo-3H-quinazolin-4-one
CID 135600489
(6,8-dibromo-4-oxo-3H-quinazolin-2-yl)methyl N'-methylcarbamimidothioate
CID 135729755
4-methyl-12-(trifluoromethyl)-5-thia-7,11,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,12-tetraene-8,10-dione
CID 135402525
6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137286712
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one (CID 154222644) is 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]c(C(F)(F)F)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is KBIHHSXVMGLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2F3N2O/c10-3-1-4-6(5(11)2-3)15-8(9(12,13)14)16-7(4)17/h1-2H,(H,15,16,17).
What are the key properties of 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one?
6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 371.94 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 154222644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).