4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline

C19H22N2 — CID 23350902

IUPAC4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline
SMILESC=C[C@H]1CN2CC[C@@H]1C[C@@H]2Cc1ccnc2ccccc12
InChIInChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15+,17+/m0/s1
InChIKeyUFJOYVQIDSNLHC-ZMSDIMECSA-N
MW278.40 g/mol
LogP3.67
Rot. Bonds3

About 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline

4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline (PubChem CID 23350902) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline
PubChem CID23350902
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline
SMILESC=C[C@H]1CN2CC[C@@H]1C[C@@H]2Cc1ccnc2ccccc12
InChIInChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15+,17+/m0/s1
InChIKeyUFJOYVQIDSNLHC-ZMSDIMECSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline?
The IUPAC name of 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline (CID 23350902) is 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline?
The canonical SMILES for 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline is C=C[C@H]1CN2CC[C@@H]1C[C@@H]2Cc1ccnc2ccccc12.
What is the InChIKey of 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline?
The InChIKey is UFJOYVQIDSNLHC-ZMSDIMECSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15+,17+/m0/s1.
What are the key properties of 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline?
4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline has a molecular weight of 278.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline is sourced from PubChem (CID 23350902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).