5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C43H56N3O6+ — CID 155249641

About 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 155249641) has the molecular formula C43H56N3O6+ and a molecular weight of 710.94 g/mol. Its IUPAC name is 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• PubChem CID: 155249641
• Molecular Formula: C43H56N3O6+
• Molecular Weight: 710.94 g/mol
• Exact Mass: 710.42
• IUPAC Name: 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• SMILES: CCC(NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(OCCC[N+]23CCC(CC2)[C@@H](OC[C@H](O)c2ccccc2C2CCCC2)C3)cc1
• InChI: InChI=1S/C43H55N3O6/c1-2-37(44-26-39(48)35-16-18-38(47)43-36(35)17-19-42(50)45-43)30-12-14-32(15-13-30)51-25-7-22-46-23-20-31(21-24-46)41(27-46)52-28-40(49)34-11-6-5-10-33(34)29-8-3-4-9-29/h5-6,10-19,29,31,37,39-41,44,48-49H,2-4,7-9,20-28H2,1H3,(H-,45,47,50)/p+1/t31?,37?,39-,40-,41-,46?/m0/s1
• InChIKey: BCFJRZLIRBYQIF-HJNGXDGKSA-O
• XLogP: 6.79
• TPSA: 124.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.94
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The IUPAC name of 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 155249641) is 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

What is the SMILES notation for 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The canonical SMILES for 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is CCC(NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(OCCC[N+]23CCC(CC2)[C@@H](OC[C@H](O)c2ccccc2C2CCCC2)C3)cc1.

What is the InChIKey of 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The InChIKey is BCFJRZLIRBYQIF-HJNGXDGKSA-O. The full InChI is InChI=1S/C43H55N3O6/c1-2-37(44-26-39(48)35-16-18-38(47)43-36(35)17-19-42(50)45-43)30-12-14-32(15-13-30)51-25-7-22-46-23-20-31(21-24-46)41(27-46)52-28-40(49)34-11-6-5-10-33(34)29-8-3-4-9-29/h5-6,10-19,29,31,37,39-41,44,48-49H,2-4,7-9,20-28H2,1H3,(H-,45,47,50)/p+1/t31?,37?,39-,40-,41-,46?/m0/s1.

What are the key properties of 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 710.94 g/mol, XLogP of 6.79, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-2-[1-[4-[3-[(3R)-3-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenyl]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 155249641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).