2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione

C12H8F3NO2 — CID 70429903

IUPAC2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione
SMILESO=C1CC2(C(F)(F)F)C(=O)Cc3ccccc3N12
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18)16(11)8-4-2-1-3-7(8)5-9(11)17/h1-4H,5-6H2
InChIKeyVEGDCELFCAMOSJ-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.85
Rot. Bonds

About 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione

2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione (PubChem CID 70429903) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione.

Molecular Properties

Compound Name2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione
PubChem CID70429903
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione
SMILESO=C1CC2(C(F)(F)F)C(=O)Cc3ccccc3N12
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18)16(11)8-4-2-1-3-7(8)5-9(11)17/h1-4H,5-6H2
InChIKeyVEGDCELFCAMOSJ-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-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 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione?
The IUPAC name of 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione (CID 70429903) is 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione.
What is the SMILES notation for 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione?
The canonical SMILES for 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione is O=C1CC2(C(F)(F)F)C(=O)Cc3ccccc3N12.
What is the InChIKey of 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione?
The InChIKey is VEGDCELFCAMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18)16(11)8-4-2-1-3-7(8)5-9(11)17/h1-4H,5-6H2.
What are the key properties of 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione?
2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione has a molecular weight of 255.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2a-(trifluoromethyl)-2,4-dihydroazeto[1,2-a]quinoline-1,3-dione is sourced from PubChem (CID 70429903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).