4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline

C60H70N4O2+2 — CID 134947701

About 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline

4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline (PubChem CID 134947701) has the molecular formula C60H70N4O2+2 and a molecular weight of 879.25 g/mol. Its IUPAC name is 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline
• PubChem CID: 134947701
• Molecular Formula: C60H70N4O2+2
• Molecular Weight: 879.25 g/mol
• Exact Mass: 878.55
• IUPAC Name: 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline
• SMILES: CCC1C[N+]2(CC)CCC1CC2[C@H](OCc1ccc(CO[C@H](c2ccnc3ccccc23)C2CC3CC[N+]2(Cc2ccc4ccc(C)cc4c2)CC3CC)cc1)c1ccnc2ccccc12
• InChI: InChI=1S/C60H70N4O2/c1-5-45-37-63(7-3)30-26-48(45)34-57(63)59(53-24-28-61-55-14-10-8-12-51(53)55)65-39-42-17-19-43(20-18-42)40-66-60(54-25-29-62-56-15-11-9-13-52(54)56)58-35-49-27-31-64(58,38-46(49)6-2)36-44-21-23-47-22-16-41(4)32-50(47)33-44/h8-25,28-29,32-33,45-46,48-49,57-60H,5-7,26-27,30-31,34-40H2,1-4H3/q+2/t45?,46?,48?,49?,57?,58?,59-,60-,63?,64?/m1/s1
• InChIKey: JGKGPFHHBIGDFT-CZFJYILFSA-N
• XLogP: 13.25
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.25
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline?

The IUPAC name of 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline (CID 134947701) is 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline.

What is the SMILES notation for 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline?

The canonical SMILES for 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline is CCC1C[N+]2(CC)CCC1CC2[C@H](OCc1ccc(CO[C@H](c2ccnc3ccccc23)C2CC3CC[N+]2(Cc2ccc4ccc(C)cc4c2)CC3CC)cc1)c1ccnc2ccccc12.

What is the InChIKey of 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline?

The InChIKey is JGKGPFHHBIGDFT-CZFJYILFSA-N. The full InChI is InChI=1S/C60H70N4O2/c1-5-45-37-63(7-3)30-26-48(45)34-57(63)59(53-24-28-61-55-14-10-8-12-51(53)55)65-39-42-17-19-43(20-18-42)40-66-60(54-25-29-62-56-15-11-9-13-52(54)56)58-35-49-27-31-64(58,38-46(49)6-2)36-44-21-23-47-22-16-41(4)32-50(47)33-44/h8-25,28-29,32-33,45-46,48-49,57-60H,5-7,26-27,30-31,34-40H2,1-4H3/q+2/t45?,46?,48?,49?,57?,58?,59-,60-,63?,64?/m1/s1.

What are the key properties of 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline?

4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline has a molecular weight of 879.25 g/mol, XLogP of 13.25, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(R)-(1,5-diethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-[[4-[[(R)-[5-ethyl-1-[(7-methylnaphthalen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]methyl]phenyl]methoxy]methyl]quinoline is sourced from PubChem (CID 134947701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).