[1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C46H58N6O6Si — CID 66968056

About [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66968056) has the molecular formula C46H58N6O6Si and a molecular weight of 819.09 g/mol. Its IUPAC name is [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 66968056
• Molecular Formula: C46H58N6O6Si
• Molecular Weight: 819.09 g/mol
• Exact Mass: 818.42
• IUPAC Name: [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CNCc1cccc(CNC(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C46H58N6O6Si/c1-46(2,3)59(4,5)58-41(37-18-20-40(53)43-38(37)19-21-42(54)51-43)31-47-29-32-12-11-13-33(28-32)30-49-44(55)48-24-27-52-25-22-35(23-26-52)57-45(56)50-39-17-10-9-16-36(39)34-14-7-6-8-15-34/h6-21,28,35,41,47,53H,22-27,29-31H2,1-5H3,(H,50,56)(H,51,54)(H2,48,49,55)/t41-/m0/s1
• InChIKey: IFMDJGNTRGMOHK-RWYGWLOXSA-N
• XLogP: 8.27
• TPSA: 157.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	819.09
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	6
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-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66968056) is [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CC(C)(C)[Si](C)(C)O[C@@H](CNCc1cccc(CNC(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)c1ccc(O)c2[nH]c(=O)ccc12.

What is the InChIKey of [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is IFMDJGNTRGMOHK-RWYGWLOXSA-N. The full InChI is InChI=1S/C46H58N6O6Si/c1-46(2,3)59(4,5)58-41(37-18-20-40(53)43-38(37)19-21-42(54)51-43)31-47-29-32-12-11-13-33(28-32)30-49-44(55)48-24-27-52-25-22-35(23-26-52)57-45(56)50-39-17-10-9-16-36(39)34-14-7-6-8-15-34/h6-21,28,35,41,47,53H,22-27,29-31H2,1-5H3,(H,50,56)(H,51,54)(H2,48,49,55)/t41-/m0/s1.

What are the key properties of [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 819.09 g/mol, XLogP of 8.27, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66968056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).