(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol

C29H29N3O2 — CID 143470916

About (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol

(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol (PubChem CID 143470916) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol.

Molecular Properties

• Compound Name: (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol
• PubChem CID: 143470916
• Molecular Formula: C29H29N3O2
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.23
• IUPAC Name: (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol
• SMILES: C=CC1CN2CCC1CC2[C@H](O)c1cc(-c2ccc3ccccc3n2)nc2ccc(OC)cc12
• InChI: InChI=1S/C29H29N3O2/c1-3-18-17-32-13-12-20(18)14-28(32)29(33)23-16-27(31-25-11-9-21(34-2)15-22(23)25)26-10-8-19-6-4-5-7-24(19)30-26/h3-11,15-16,18,20,28-29,33H,1,12-14,17H2,2H3/t18?,20?,28?,29-/m1/s1
• InChIKey: YLRYBHCXXUCWHW-DVSFQJNLSA-N
• XLogP: 5.39
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol?

The IUPAC name of (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol (CID 143470916) is (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol.

What is the SMILES notation for (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol?

The canonical SMILES for (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol is C=CC1CN2CCC1CC2[C@H](O)c1cc(-c2ccc3ccccc3n2)nc2ccc(OC)cc12.

What is the InChIKey of (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol?

The InChIKey is YLRYBHCXXUCWHW-DVSFQJNLSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-3-18-17-32-13-12-20(18)14-28(32)29(33)23-16-27(31-25-11-9-21(34-2)15-22(23)25)26-10-8-19-6-4-5-7-24(19)30-26/h3-11,15-16,18,20,28-29,33H,1,12-14,17H2,2H3/t18?,20?,28?,29-/m1/s1.

What are the key properties of (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol?

(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol has a molecular weight of 451.57 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-quinolin-2-ylquinolin-4-yl)methanol is sourced from PubChem (CID 143470916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).