N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C54H64N4O8Si — CID 23759442

About N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23759442) has the molecular formula C54H64N4O8Si and a molecular weight of 925.21 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23759442
• Molecular Formula: C54H64N4O8Si
• Molecular Weight: 925.21 g/mol
• Exact Mass: 924.45
• IUPAC Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1ccc2c(c1)[C@@]1(O[C@H](CC(=O)N(CCO)Cc3ccccc3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]1C)C(=O)N2Cc1ccccc1
• InChI: InChI=1S/C54H64N4O8Si/c1-6-65-43-22-26-47-40(31-43)32-46(55-27-13-14-29-59)52(62)58(47)41-19-25-48-45(33-41)54(53(63)57(48)36-39-17-11-8-12-18-39)37(2)51(67(4,5)44-23-20-42(64-3)21-24-44)49(66-54)34-50(61)56(28-30-60)35-38-15-9-7-10-16-38/h7-12,15-26,31,33,37,46,49,51,55,59-60H,6,13-14,27-30,32,34-36H2,1-5H3/t37-,46?,49+,51-,54+/m0/s1
• InChIKey: PSESRTJGYDTTCW-GJKSYAGUSA-N
• XLogP: 7.22
• TPSA: 141.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.21
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23759442) is N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1ccc2c(c1)[C@@]1(O[C@H](CC(=O)N(CCO)Cc3ccccc3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]1C)C(=O)N2Cc1ccccc1.

What is the InChIKey of N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is PSESRTJGYDTTCW-GJKSYAGUSA-N. The full InChI is InChI=1S/C54H64N4O8Si/c1-6-65-43-22-26-47-40(31-43)32-46(55-27-13-14-29-59)52(62)58(47)41-19-25-48-45(33-41)54(53(63)57(48)36-39-17-11-8-12-18-39)37(2)51(67(4,5)44-23-20-42(64-3)21-24-44)49(66-54)34-50(61)56(28-30-60)35-38-15-9-7-10-16-38/h7-12,15-26,31,33,37,46,49,51,55,59-60H,6,13-14,27-30,32,34-36H2,1-5H3/t37-,46?,49+,51-,54+/m0/s1.

What are the key properties of N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 925.21 g/mol, XLogP of 7.22, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23759442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).