2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one

C28H32F3NO2 — CID 90706024

IUPAC2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
SMILESCCCC1C(C(=O)c2ccc(C(F)(F)F)cc2)=C(C2CCCC2)N=C2CC3(CCC3)CC(=O)C21
InChIInChI=1S/C28H32F3NO2/c1-2-6-20-23-21(15-27(13-5-14-27)16-22(23)33)32-25(17-7-3-4-8-17)24(20)26(34)18-9-11-19(12-10-18)28(29,30)31/h9-12,17,20,23H,2-8,13-16H2,1H3
InChIKeyOCKNUZWBFAJERL-UHFFFAOYSA-N
MW471.56 g/mol
LogP7.35
Rot. Bonds5

About 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one

2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one (PubChem CID 90706024) has the molecular formula C28H32F3NO2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one.

Molecular Properties

Compound Name2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
PubChem CID90706024
Molecular FormulaC28H32F3NO2
Molecular Weight471.56 g/mol
Exact Mass471.24
IUPAC Name2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
SMILESCCCC1C(C(=O)c2ccc(C(F)(F)F)cc2)=C(C2CCCC2)N=C2CC3(CCC3)CC(=O)C21
InChIInChI=1S/C28H32F3NO2/c1-2-6-20-23-21(15-27(13-5-14-27)16-22(23)33)32-25(17-7-3-4-8-17)24(20)26(34)18-9-11-19(12-10-18)28(29,30)31/h9-12,17,20,23H,2-8,13-16H2,1H3
InChIKeyOCKNUZWBFAJERL-UHFFFAOYSA-N
XLogP7.35
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-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-Cyclohexyl-2-isopropyl-7,7-dimethyl-3-[4-(trifluoromethyl)benzoyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one
CID 59777634
4'-Cyclopentyl-2'-isopropyl-3'-[4-(trifluoromethyl)benzoyl]-4',8'-dihydro-1'H-spiro[cyclobutane-1,7'-quinolin]-5'(6'H)-one
CID 59777642

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one?
The IUPAC name of 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one (CID 90706024) is 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one.
What is the SMILES notation for 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one?
The canonical SMILES for 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one is CCCC1C(C(=O)c2ccc(C(F)(F)F)cc2)=C(C2CCCC2)N=C2CC3(CCC3)CC(=O)C21.
What is the InChIKey of 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one?
The InChIKey is OCKNUZWBFAJERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3NO2/c1-2-6-20-23-21(15-27(13-5-14-27)16-22(23)33)32-25(17-7-3-4-8-17)24(20)26(34)18-9-11-19(12-10-18)28(29,30)31/h9-12,17,20,23H,2-8,13-16H2,1H3.
What are the key properties of 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one?
2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one has a molecular weight of 471.56 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-propyl-3-[4-(trifluoromethyl)benzoyl]spiro[4,4a,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one is sourced from PubChem (CID 90706024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).