1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one

C12H7BrF3N3O — CID 154477014

IUPAC1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2cnc(Br)n2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7BrF3N3O/c1-18-8-4-6(12(14,15)16)2-3-7(8)19-9(10(18)20)5-17-11(19)13/h2-5H,1H3
InChIKeyCMARFXUQGTZGIE-UHFFFAOYSA-N
MW346.11 g/mol
LogP2.97
Rot. Bonds

About 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one

1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 154477014) has the molecular formula C12H7BrF3N3O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID154477014
Molecular FormulaC12H7BrF3N3O
Molecular Weight346.11 g/mol
Exact Mass344.97
IUPAC Name1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2cnc(Br)n2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7BrF3N3O/c1-18-8-4-6(12(14,15)16)2-3-7(8)19-9(10(18)20)5-17-11(19)13/h2-5H,1H3
InChIKeyCMARFXUQGTZGIE-UHFFFAOYSA-N
XLogP2.97
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262584
ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate
CID 67756599
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide
CID 70609955
4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
1-methyl-3-[1-(methylamino)ethyl]-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262585
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120939
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one (CID 154477014) is 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one is Cn1c(=O)c2cnc(Br)n2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is CMARFXUQGTZGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3O/c1-18-8-4-6(12(14,15)16)2-3-7(8)19-9(10(18)20)5-17-11(19)13/h2-5H,1H3.
What are the key properties of 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 346.11 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 154477014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).