tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane

C36H44F5NOSi — CID 10282769

IUPACtert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C36H44F5NOSi/c1-34(2,3)44(6,7)43-28-21-35(4,5)20-27-30(28)29(22-14-18-26(37)19-15-22)31(33(42-27)24-10-8-9-11-24)32(38)23-12-16-25(17-13-23)36(39,40)41/h12-19,24,28,32H,8-11,20-21H2,1-7H3
InChIKeyIRYKICKCAXOYHW-UHFFFAOYSA-N
MW629.83 g/mol
LogP11.66
Rot. Bonds6

About tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane

tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane (PubChem CID 10282769) has the molecular formula C36H44F5NOSi and a molecular weight of 629.83 g/mol. Its IUPAC name is tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane
PubChem CID10282769
Molecular FormulaC36H44F5NOSi
Molecular Weight629.83 g/mol
Exact Mass629.31
IUPAC Nametert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C36H44F5NOSi/c1-34(2,3)44(6,7)43-28-21-35(4,5)20-27-30(28)29(22-14-18-26(37)19-15-22)31(33(42-27)24-10-8-9-11-24)32(38)23-12-16-25(17-13-23)36(39,40)41/h12-19,24,28,32H,8-11,20-21H2,1-7H3
InChIKeyIRYKICKCAXOYHW-UHFFFAOYSA-N
XLogP11.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

Bay-60-5521
CID 11691871
CID 46880878
CID 46880878
(S)-2-cyclopentyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-4-(4-fluorophenyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 9936334
(S)-4-cyclohexyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 11554734
trans-4-Cyclohexyl-2-cyclopentyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880362
(5S)-4-cyclohexyl-3-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46880363
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46880406
(S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-(4-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880460
(5S)-4-cyclohexyl-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46865658
trans-4-Cyclohexyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880361
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46880459
4-[[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxyspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-fluoromethyl]benzonitrile
CID 9805361

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane (CID 10282769) is tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane is CC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane?
The InChIKey is IRYKICKCAXOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44F5NOSi/c1-34(2,3)44(6,7)43-28-21-35(4,5)20-27-30(28)29(22-14-18-26(37)19-15-22)31(33(42-27)24-10-8-9-11-24)32(38)23-12-16-25(17-13-23)36(39,40)41/h12-19,24,28,32H,8-11,20-21H2,1-7H3.
What are the key properties of tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane?
tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane has a molecular weight of 629.83 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10282769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).