4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one

C27H32F3NO2 — CID 91093232

IUPAC4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
SMILESCC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCCC2)C2C(=O)CC(C)(C)CC2=N1
InChIInChI=1S/C27H32F3NO2/c1-15(2)24-23(25(33)17-9-11-18(12-10-17)27(28,29)30)21(16-7-5-6-8-16)22-19(31-24)13-26(3,4)14-20(22)32/h9-12,15-16,21-22H,5-8,13-14H2,1-4H3
InChIKeyFDMLBBIPWLQMSQ-UHFFFAOYSA-N
MW459.55 g/mol
LogP7.06
Rot. Bonds4

About 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one

4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one (PubChem CID 91093232) has the molecular formula C27H32F3NO2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
PubChem CID91093232
Molecular FormulaC27H32F3NO2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
SMILESCC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCCC2)C2C(=O)CC(C)(C)CC2=N1
InChIInChI=1S/C27H32F3NO2/c1-15(2)24-23(25(33)17-9-11-18(12-10-17)27(28,29)30)21(16-7-5-6-8-16)22-19(31-24)13-26(3,4)14-20(22)32/h9-12,15-16,21-22H,5-8,13-14H2,1-4H3
InChIKeyFDMLBBIPWLQMSQ-UHFFFAOYSA-N
XLogP7.06
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one 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

7,7-dimethyl-10-(4-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 2850861
3,3,6,6-Tetramethyl-9-[4-(trifluoromethyl)phenyl]-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 78429564
2-cyclopentyl-4-cyclohexyl-7,7-dimethyl-3-(4-trifluoromethylbenzoyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 15403150
2-methyl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 53703226
9-[3-Fluoro-4-(trifluoromethyl)phenyl]-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 53994009
2-Cyclopentyl-3-(4-fluorobenzoyl)-4-(4-fluorophenyl)-7,7-dimethyl-4,4a,6,8-tetrahydroquinolin-5-one
CID 54043277
3,3,6,6-Tetramethyl-9-(2,4,6-trifluorophenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 54235360
9-(3,4-Difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 54496319
2-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 54500229
2-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[2-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one
CID 57227122
4'-Cyclopentyl-2'-isopropyl-3'-[4-(trifluoromethyl)benzoyl]-4',8'-dihydro-1'H-spiro[cyclobutane-1,7'-quinolin]-5'(6'H)-one
CID 59777642
2,4-Dicyclopentyl-7,7-dimethyl-3-(4-trifluoromethylbenzoyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 59777658

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one (CID 91093232) is 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one is CC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCCC2)C2C(=O)CC(C)(C)CC2=N1.
What is the InChIKey of 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one?
The InChIKey is FDMLBBIPWLQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3NO2/c1-15(2)24-23(25(33)17-9-11-18(12-10-17)27(28,29)30)21(16-7-5-6-8-16)22-19(31-24)13-26(3,4)14-20(22)32/h9-12,15-16,21-22H,5-8,13-14H2,1-4H3.
What are the key properties of 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one?
4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one has a molecular weight of 459.55 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7,7-dimethyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-4,4a,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 91093232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).