(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol

C25H38N2O4Si — CID 10939456

IUPAC(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCCO[Si](CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12)(OCC)OCC
InChIInChI=1S/C25H38N2O4Si/c1-4-29-32(30-5-2,31-6-3)16-13-20-18-27-15-12-19(20)17-24(27)25(28)22-11-14-26-23-10-8-7-9-21(22)23/h7-11,14,19-20,24-25,28H,4-6,12-13,15-18H2,1-3H3/t19-,20-,24-,25+/m0/s1
InChIKeyATUQVPCAEHLCJQ-OTLGMJNYSA-N
MW458.68 g/mol
LogP4.42
Rot. Bonds11

About (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol

(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 10939456) has the molecular formula C25H38N2O4Si and a molecular weight of 458.68 g/mol. Its IUPAC name is (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID10939456
Molecular FormulaC25H38N2O4Si
Molecular Weight458.68 g/mol
Exact Mass458.26
IUPAC Name(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCCO[Si](CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12)(OCC)OCC
InChIInChI=1S/C25H38N2O4Si/c1-4-29-32(30-5-2,31-6-3)16-13-20-18-27-15-12-19(20)17-24(27)25(28)22-11-14-26-23-10-8-7-9-21(22)23/h7-11,14,19-20,24-25,28H,4-6,12-13,15-18H2,1-3H3/t19-,20-,24-,25+/m0/s1
InChIKeyATUQVPCAEHLCJQ-OTLGMJNYSA-N
XLogP4.42
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.68
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 682015
(S)-[(2R,4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 134840087
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 6914728
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride
CID 138319522
triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane
CID 11155933
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 8350
(S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 25203360
(R)-(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
CID 163199350
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;hydrochloride
CID 3035282
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrate
CID 173424954
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;dihydrochloride
CID 18625690

Frequently Asked Questions

What is the IUPAC name of (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 10939456) is (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol is CCO[Si](CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12)(OCC)OCC.
What is the InChIKey of (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is ATUQVPCAEHLCJQ-OTLGMJNYSA-N. The full InChI is InChI=1S/C25H38N2O4Si/c1-4-29-32(30-5-2,31-6-3)16-13-20-18-27-15-12-19(20)17-24(27)25(28)22-11-14-26-23-10-8-7-9-21(22)23/h7-11,14,19-20,24-25,28H,4-6,12-13,15-18H2,1-3H3/t19-,20-,24-,25+/m0/s1.
What are the key properties of (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol?
(R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 458.68 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-quinolin-4-yl-[(2S,4S,5R)-5-(2-triethoxysilylethyl)-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 10939456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).