4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline

C20H24N2O — CID 10957818

IUPAC4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
SMILESC=C[C@H]1CN2CC[C@H]1C[C@H](OC)[C@H]2c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O/c1-3-14-13-22-11-9-15(14)12-19(23-2)20(22)17-8-10-21-18-7-5-4-6-16(17)18/h3-8,10,14-15,19-20H,1,9,11-13H2,2H3/t14-,15-,19-,20+/m0/s1
InChIKeyJJZMQFXUBWPIQB-HZVDNRATSA-N
MW308.42 g/mol
LogP3.82
Rot. Bonds3

About 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline

4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline (PubChem CID 10957818) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline.

Molecular Properties

Compound Name4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
PubChem CID10957818
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
SMILESC=C[C@H]1CN2CC[C@H]1C[C@H](OC)[C@H]2c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O/c1-3-14-13-22-11-9-15(14)12-19(23-2)20(22)17-8-10-21-18-7-5-4-6-16(17)18/h3-8,10,14-15,19-20H,1,9,11-13H2,2H3/t14-,15-,19-,20+/m0/s1
InChIKeyJJZMQFXUBWPIQB-HZVDNRATSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline with MolForge

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Related Compounds

4-[(2R,3R,5S,6R)-6-ethenyl-3-ethoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
CID 101253378
(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol
CID 129460966
[(2S,3S,5S,6R)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-yl] benzoate
CID 101253380
(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
[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanone
CID 11878701
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;hydrochloride
CID 3035282
(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
CID 134838674
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
CID 53391468
(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 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline?
The IUPAC name of 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline (CID 10957818) is 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline.
What is the SMILES notation for 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline?
The canonical SMILES for 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline is C=C[C@H]1CN2CC[C@H]1C[C@H](OC)[C@H]2c1ccnc2ccccc12.
What is the InChIKey of 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline?
The InChIKey is JJZMQFXUBWPIQB-HZVDNRATSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-14-13-22-11-9-15(14)12-19(23-2)20(22)17-8-10-21-18-7-5-4-6-16(17)18/h3-8,10,14-15,19-20H,1,9,11-13H2,2H3/t14-,15-,19-,20+/m0/s1.
What are the key properties of 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline?
4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline has a molecular weight of 308.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline is sourced from PubChem (CID 10957818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).