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

C52H61N5O6Si — CID 66968023

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

[1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66968023) has the molecular formula C52H61N5O6Si and a molecular weight of 880.18 g/mol. Its IUPAC name is [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 66968023
• Molecular Formula: C52H61N5O6Si
• Molecular Weight: 880.18 g/mol
• Exact Mass: 879.44
• IUPAC Name: [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CC(C)(C)[Si](C)(C)O[C@H](CNCc1ccc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C52H61N5O6Si/c1-52(2,3)64(4,5)63-47(43-24-26-46(49-44(43)25-27-48(58)56-49)61-36-38-14-8-6-9-15-38)35-53-34-37-20-22-40(23-21-37)50(59)54-30-33-57-31-28-41(29-32-57)62-51(60)55-45-19-13-12-18-42(45)39-16-10-7-11-17-39/h6-27,41,47,53H,28-36H2,1-5H3,(H,54,59)(H,55,60)(H,56,58)/t47-/m1/s1
• InChIKey: RGNBXESVXYVMII-QZNUWAOFSA-N
• XLogP: 10.07
• TPSA: 134.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.18
LogP ≤ 5	10.07
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 [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66968023) is [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

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

The canonical SMILES for [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CC(C)(C)[Si](C)(C)O[C@H](CNCc1ccc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12.

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

The InChIKey is RGNBXESVXYVMII-QZNUWAOFSA-N. The full InChI is InChI=1S/C52H61N5O6Si/c1-52(2,3)64(4,5)63-47(43-24-26-46(49-44(43)25-27-48(58)56-49)61-36-38-14-8-6-9-15-38)35-53-34-37-20-22-40(23-21-37)50(59)54-30-33-57-31-28-41(29-32-57)62-51(60)55-45-19-13-12-18-42(45)39-16-10-7-11-17-39/h6-27,41,47,53H,28-36H2,1-5H3,(H,54,59)(H,55,60)(H,56,58)/t47-/m1/s1.

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

[1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 880.18 g/mol, XLogP of 10.07, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66968023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).