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

C19H24N2O — CID 139814513

IUPAC(R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1=CCNc2ccccc21
InChIInChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,13-14,18-20,22H,1,8-12H2/t13-,14+,18+,19-/m1/s1
InChIKeyXFCNBUKFNBMACA-SPLQCWDRSA-N
MW296.41 g/mol
LogP2.75
Rot. Bonds3

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

(R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 139814513) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name(R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID139814513
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESC=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1=CCNc2ccccc21
InChIInChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,13-14,18-20,22H,1,8-12H2/t13-,14+,18+,19-/m1/s1
InChIKeyXFCNBUKFNBMACA-SPLQCWDRSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 139814513) is (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1=CCNc2ccccc21.
What is the InChIKey of (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is XFCNBUKFNBMACA-SPLQCWDRSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,13-14,18-20,22H,1,8-12H2/t13-,14+,18+,19-/m1/s1.
What are the key properties of (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
(R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 296.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1,2-dihydroquinolin-4-yl-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 139814513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).