(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol

C19H22N2O — CID 129460966

IUPAC(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol
SMILESC=C[C@@H]1CN2CC[C@H]1C[C@H](O)[C@@H]2c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(22)19(21)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14+,18+,19+/m1/s1
InChIKeyKZAMUBNBIUGDCN-WXRFYESLSA-N
MW294.40 g/mol
LogP3.16
Rot. Bonds2

About (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol

(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol (PubChem CID 129460966) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol
PubChem CID129460966
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol
SMILESC=C[C@@H]1CN2CC[C@H]1C[C@H](O)[C@@H]2c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(22)19(21)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14+,18+,19+/m1/s1
InChIKeyKZAMUBNBIUGDCN-WXRFYESLSA-N
XLogP3.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

4-[(2R,3S,5S,6R)-6-ethenyl-3-methoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
CID 10957818
4-[(2R,3R,5S,6R)-6-ethenyl-3-ethoxy-1-azabicyclo[3.2.2]nonan-2-yl]quinoline
CID 101253378
[(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
(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
1-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1-quinolin-4-ylethane-1,2-diol
CID 78152171
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
CID 53391468

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol?
The IUPAC name of (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol (CID 129460966) is (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol.
What is the SMILES notation for (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol?
The canonical SMILES for (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol is C=C[C@@H]1CN2CC[C@H]1C[C@H](O)[C@@H]2c1ccnc2ccccc12.
What is the InChIKey of (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol?
The InChIKey is KZAMUBNBIUGDCN-WXRFYESLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(22)19(21)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14+,18+,19+/m1/s1.
What are the key properties of (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol?
(2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol has a molecular weight of 294.40 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-6-ethenyl-2-quinolin-4-yl-1-azabicyclo[3.2.2]nonan-3-ol is sourced from PubChem (CID 129460966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).