1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol

C20H24N2O2 — CID 78152171

IUPAC1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol
SMILESC=CC1CN2CCC1CC2C(O)(CO)c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O2/c1-2-14-12-22-10-8-15(14)11-19(22)20(24,13-23)17-7-9-21-18-6-4-3-5-16(17)18/h2-7,9,14-15,19,23-24H,1,8,10-13H2
InChIKeyCEAUNQPLNHPANA-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.31
Rot. Bonds4

About 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol

1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol (PubChem CID 78152171) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol.

Molecular Properties

Compound Name1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol
PubChem CID78152171
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol
SMILESC=CC1CN2CCC1CC2C(O)(CO)c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O2/c1-2-14-12-22-10-8-15(14)11-19(22)20(24,13-23)17-7-9-21-18-6-4-3-5-16(17)18/h2-7,9,14-15,19,23-24H,1,8,10-13H2
InChIKeyCEAUNQPLNHPANA-UHFFFAOYSA-N
XLogP2.31
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol with MolForge

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Related Compounds

1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-2-phenylsulfanyl-1-quinolin-4-ylethanol
CID 78152172
N-[(2S)-2-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2-hydroxy-2-quinolin-4-ylethyl]acetamide
CID 71697037
(1S)-2-(benzylamino)-1-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1-quinolin-4-ylethanol
CID 71697038
2-(2-aminophenyl)sulfanyl-1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethanol
CID 78152173
(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol
CID 129460966
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 8350
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320
(S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 25203360
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;hydrochloride
CID 3035282
[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanone
CID 11878701
(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 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol?
The IUPAC name of 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol (CID 78152171) is 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol.
What is the SMILES notation for 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol?
The canonical SMILES for 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol is C=CC1CN2CCC1CC2C(O)(CO)c1ccnc2ccccc12.
What is the InChIKey of 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol?
The InChIKey is CEAUNQPLNHPANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-14-12-22-10-8-15(14)11-19(22)20(24,13-23)17-7-9-21-18-6-4-3-5-16(17)18/h2-7,9,14-15,19,23-24H,1,8,10-13H2.
What are the key properties of 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol?
1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol has a molecular weight of 324.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol is sourced from PubChem (CID 78152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).