7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

C9H3BrF4N2O2 — CID 164904477

IUPAC7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(Br)c(F)c2[nH]1
InChIInChI=1S/C9H3BrF4N2O2/c10-4-3(9(12,13)14)1-2-6(5(4)11)15-8(18)16-7(2)17/h1H,(H2,15,16,17,18)
InChIKeyCMGFOBPMVILXBY-UHFFFAOYSA-N
MW327.03 g/mol
LogP2.14
Rot. Bonds

About 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 164904477) has the molecular formula C9H3BrF4N2O2 and a molecular weight of 327.03 g/mol. Its IUPAC name is 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID164904477
Molecular FormulaC9H3BrF4N2O2
Molecular Weight327.03 g/mol
Exact Mass325.93
IUPAC Name7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(C(F)(F)F)c(Br)c(F)c2[nH]1
InChIInChI=1S/C9H3BrF4N2O2/c10-4-3(9(12,13)14)1-2-6(5(4)11)15-8(18)16-7(2)17/h1H,(H2,15,16,17,18)
InChIKeyCMGFOBPMVILXBY-UHFFFAOYSA-N
XLogP2.14
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.03
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 164904477) is 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(C(F)(F)F)c(Br)c(F)c2[nH]1.
What is the InChIKey of 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is CMGFOBPMVILXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF4N2O2/c10-4-3(9(12,13)14)1-2-6(5(4)11)15-8(18)16-7(2)17/h1H,(H2,15,16,17,18).
What are the key properties of 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 327.03 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 164904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).