3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

C23H24F3NO2 — CID 54235360

IUPAC3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C23H24F3NO2/c1-22(2)7-14-19(16(28)9-22)21(18-12(25)5-11(24)6-13(18)26)20-15(27-14)8-23(3,4)10-17(20)29/h5-6,19,21H,7-10H2,1-4H3
InChIKeyQMELZXSKJUIJJS-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.29
Rot. Bonds1

About 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (PubChem CID 54235360) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
PubChem CID54235360
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C23H24F3NO2/c1-22(2)7-14-19(16(28)9-22)21(18-12(25)5-11(24)6-13(18)26)20-15(27-14)8-23(3,4)10-17(20)29/h5-6,19,21H,7-10H2,1-4H3
InChIKeyQMELZXSKJUIJJS-UHFFFAOYSA-N
XLogP5.29
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

10-(4-fluorophenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 3113146
9-(3-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1166347
10-(3-fluorophenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 2850447
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 3805862
9-(3-Fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 134947037
9-(2-Fluorophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 4282949
4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686978
3,3,6,6-Tetramethyl-9-[4-(trifluoromethyl)phenyl]-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 78429564
4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78429684
Ethyl 4-(2,6-difluorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 78429833
Methyl 4-(2,6-difluorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 78429834
4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78431387

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (CID 54235360) is 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2c(F)cc(F)cc2F)C1.
What is the InChIKey of 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The InChIKey is QMELZXSKJUIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO2/c1-22(2)7-14-19(16(28)9-22)21(18-12(25)5-11(24)6-13(18)26)20-15(27-14)8-23(3,4)10-17(20)29/h5-6,19,21H,7-10H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione has a molecular weight of 403.44 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is sourced from PubChem (CID 54235360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).