tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane

C38H47F4NO2Si — CID 20586681

IUPACtert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2(CCC2)Cc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C38H47F4NO2Si/c1-36(2,3)46(4,5)45-32-22-37(19-8-20-37)21-31-34(32)33(26-13-17-29(39)18-14-26)30(35(43-31)27-9-6-7-10-27)24-44-23-25-11-15-28(16-12-25)38(40,41)42/h11-18,27,32H,6-10,19-24H2,1-5H3
InChIKeyRGJJLFWOJKQCCH-UHFFFAOYSA-N
MW653.88 g/mol
LogP11.46
Rot. Bonds8

About tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane

tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane (PubChem CID 20586681) has the molecular formula C38H47F4NO2Si and a molecular weight of 653.88 g/mol. Its IUPAC name is tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane
PubChem CID20586681
Molecular FormulaC38H47F4NO2Si
Molecular Weight653.88 g/mol
Exact Mass653.33
IUPAC Nametert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2(CCC2)Cc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C38H47F4NO2Si/c1-36(2,3)46(4,5)45-32-22-37(19-8-20-37)21-31-34(32)33(26-13-17-29(39)18-14-26)30(35(43-31)27-9-6-7-10-27)24-44-23-25-11-15-28(16-12-25)38(40,41)42/h11-18,27,32H,6-10,19-24H2,1-5H3
InChIKeyRGJJLFWOJKQCCH-UHFFFAOYSA-N
XLogP11.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.88
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-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
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
CID 53467539
CID 53467539
CID 53467749
CID 53467749
CID 53468189
CID 53468189
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane (CID 20586681) is tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC2(CCC2)Cc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane?
The InChIKey is RGJJLFWOJKQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47F4NO2Si/c1-36(2,3)46(4,5)45-32-22-37(19-8-20-37)21-31-34(32)33(26-13-17-29(39)18-14-26)30(35(43-31)27-9-6-7-10-27)24-44-23-25-11-15-28(16-12-25)38(40,41)42/h11-18,27,32H,6-10,19-24H2,1-5H3.
What are the key properties of tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane?
tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane has a molecular weight of 653.88 g/mol, XLogP of 11.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 20586681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).