benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate

C46H59N3O5Si — CID 69233936

About benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate

benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate (PubChem CID 69233936) has the molecular formula C46H59N3O5Si and a molecular weight of 762.08 g/mol. Its IUPAC name is benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate
• PubChem CID: 69233936
• Molecular Formula: C46H59N3O5Si
• Molecular Weight: 762.08 g/mol
• Exact Mass: 761.42
• IUPAC Name: benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CN(CCCCCCNCCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C46H59N3O5Si/c1-46(2,3)55(4,5)54-42(39-25-27-41(44-40(39)26-28-43(50)48-44)52-34-37-21-13-9-14-22-37)33-49(45(51)53-35-38-23-15-10-16-24-38)32-18-7-6-17-30-47-31-29-36-19-11-8-12-20-36/h8-16,19-28,42,47H,6-7,17-18,29-35H2,1-5H3,(H,48,50)/t42-/m0/s1
• InChIKey: KWVFGNXHYFBIOY-WBCKFURZSA-N
• XLogP: 10.20
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.08
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate?

The IUPAC name of benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate (CID 69233936) is benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate.

What is the SMILES notation for benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate?

The canonical SMILES for benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate is CC(C)(C)[Si](C)(C)O[C@@H](CN(CCCCCCNCCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12.

What is the InChIKey of benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate?

The InChIKey is KWVFGNXHYFBIOY-WBCKFURZSA-N. The full InChI is InChI=1S/C46H59N3O5Si/c1-46(2,3)55(4,5)54-42(39-25-27-41(44-40(39)26-28-43(50)48-44)52-34-37-21-13-9-14-22-37)33-49(45(51)53-35-38-23-15-10-16-24-38)32-18-7-6-17-30-47-31-29-36-19-11-8-12-20-36/h8-16,19-28,42,47H,6-7,17-18,29-35H2,1-5H3,(H,48,50)/t42-/m0/s1.

What are the key properties of benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate?

benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate has a molecular weight of 762.08 g/mol, XLogP of 10.20, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate is sourced from PubChem (CID 69233936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).