[4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate

C53H65N5O6Si — CID 69060014

About [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate

[4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate (PubChem CID 69060014) has the molecular formula C53H65N5O6Si and a molecular weight of 896.22 g/mol. Its IUPAC name is [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 69060014
• Molecular Formula: C53H65N5O6Si
• Molecular Weight: 896.22 g/mol
• Exact Mass: 895.47
• IUPAC Name: [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate
• SMILES: CN(CCNC(=O)c1ccc(CNC[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1)CCC(C)(C)OC(=O)Nc1ccccc1-c1ccccc1
• InChI: InChI=1S/C53H65N5O6Si/c1-52(2,3)65(7,8)64-47(43-27-29-46(49-44(43)28-30-48(59)57-49)62-37-39-17-11-9-12-18-39)36-54-35-38-23-25-41(26-24-38)50(60)55-32-34-58(6)33-31-53(4,5)63-51(61)56-45-22-16-15-21-42(45)40-19-13-10-14-20-40/h9-30,47,54H,31-37H2,1-8H3,(H,55,60)(H,56,61)(H,57,59)/t47-/m1/s1
• InChIKey: LGGWDRNZYVBDHP-QZNUWAOFSA-N
• XLogP: 10.71
• TPSA: 134.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.22
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate (CID 69060014) is [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate is CN(CCNC(=O)c1ccc(CNC[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1)CCC(C)(C)OC(=O)Nc1ccccc1-c1ccccc1.

What is the InChIKey of [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is LGGWDRNZYVBDHP-QZNUWAOFSA-N. The full InChI is InChI=1S/C53H65N5O6Si/c1-52(2,3)65(7,8)64-47(43-27-29-46(49-44(43)28-30-48(59)57-49)62-37-39-17-11-9-12-18-39)36-54-35-38-23-25-41(26-24-38)50(60)55-32-34-58(6)33-31-53(4,5)63-51(61)56-45-22-16-15-21-42(45)40-19-13-10-14-20-40/h9-30,47,54H,31-37H2,1-8H3,(H,55,60)(H,56,61)(H,57,59)/t47-/m1/s1.

What are the key properties of [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate?

[4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 896.22 g/mol, XLogP of 10.71, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl-methylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 69060014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).