[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane

C23H32N2O2Si — CID 585807

About [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane

[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane (PubChem CID 585807) has the molecular formula C23H32N2O2Si and a molecular weight of 396.61 g/mol. Its IUPAC name is [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane
• PubChem CID: 585807
• Molecular Formula: C23H32N2O2Si
• Molecular Weight: 396.61 g/mol
• Exact Mass: 396.22
• IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane
• SMILES: C=CC1CN2CCC1CC2C(O[Si](C)(C)C)c1ccnc2ccc(OC)cc12
• InChI: InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3
• InChIKey: UKECXMWGKYEZPW-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 34.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane?

The IUPAC name of [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane (CID 585807) is [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane.

What is the SMILES notation for [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane?

The canonical SMILES for [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane is C=CC1CN2CCC1CC2C(O[Si](C)(C)C)c1ccnc2ccc(OC)cc12.

What is the InChIKey of [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane?

The InChIKey is UKECXMWGKYEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3.

What are the key properties of [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane?

[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane has a molecular weight of 396.61 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane is sourced from PubChem (CID 585807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).