[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane

C23H31F3N2OSi — CID 586615

IUPAC[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane
SMILESCCC1CN2CCC1CC2C(O[Si](C)(C)C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H31F3N2OSi/c1-5-15-14-28-11-9-16(15)12-21(28)22(29-30(2,3)4)19-8-10-27-20-13-17(23(24,25)26)6-7-18(19)20/h6-8,10,13,15-16,21-22H,5,9,11-12,14H2,1-4H3
InChIKeyXGWYDPFEFHSVDQ-UHFFFAOYSA-N
MW436.59 g/mol
LogP6.27
Rot. Bonds5

About [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane

[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane (PubChem CID 586615) has the molecular formula C23H31F3N2OSi and a molecular weight of 436.59 g/mol. Its IUPAC name is [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane
PubChem CID586615
Molecular FormulaC23H31F3N2OSi
Molecular Weight436.59 g/mol
Exact Mass436.22
IUPAC Name[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane
SMILESCCC1CN2CCC1CC2C(O[Si](C)(C)C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H31F3N2OSi/c1-5-15-14-28-11-9-16(15)12-21(28)22(29-30(2,3)4)19-8-10-27-20-13-17(23(24,25)26)6-7-18(19)20/h6-8,10,13,15-16,21-22H,5,9,11-12,14H2,1-4H3
InChIKeyXGWYDPFEFHSVDQ-UHFFFAOYSA-N
XLogP6.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane?
The IUPAC name of [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane (CID 586615) is [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane?
The canonical SMILES for [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane is CCC1CN2CCC1CC2C(O[Si](C)(C)C)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane?
The InChIKey is XGWYDPFEFHSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2OSi/c1-5-15-14-28-11-9-16(15)12-21(28)22(29-30(2,3)4)19-8-10-27-20-13-17(23(24,25)26)6-7-18(19)20/h6-8,10,13,15-16,21-22H,5,9,11-12,14H2,1-4H3.
What are the key properties of [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane?
[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane has a molecular weight of 436.59 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 586615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).