(4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate

C48H62N4O6Si — CID 90239534

About (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate

(4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate (PubChem CID 90239534) has the molecular formula C48H62N4O6Si and a molecular weight of 819.13 g/mol. Its IUPAC name is (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate.

Molecular Properties

• Compound Name: (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate
• PubChem CID: 90239534
• Molecular Formula: C48H62N4O6Si
• Molecular Weight: 819.13 g/mol
• Exact Mass: 818.44
• IUPAC Name: (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(OCCCCc2ccc(-c3ccccc3)c(NC(=O)OC3CCC(N)CC3)c2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C48H62N4O6Si/c1-48(2,3)59(4,5)58-44(40-24-26-43(53)46-41(40)25-27-45(54)52-46)32-50-29-28-33-14-19-37(20-15-33)56-30-10-9-11-34-16-23-39(35-12-7-6-8-13-35)42(31-34)51-47(55)57-38-21-17-36(49)18-22-38/h6-8,12-16,19-20,23-27,31,36,38,44,50,53H,9-11,17-18,21-22,28-30,32,49H2,1-5H3,(H,51,55)(H,52,54)/t36?,38?,44-/m0/s1
• InChIKey: YRHZPZYZSPWXAY-OZUGWJFPSA-N
• XLogP: 10.02
• TPSA: 147.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.13
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

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 (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate?

The IUPAC name of (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate (CID 90239534) is (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate.

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

The canonical SMILES for (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate is CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(OCCCCc2ccc(-c3ccccc3)c(NC(=O)OC3CCC(N)CC3)c2)cc1)c1ccc(O)c2[nH]c(=O)ccc12.

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

The InChIKey is YRHZPZYZSPWXAY-OZUGWJFPSA-N. The full InChI is InChI=1S/C48H62N4O6Si/c1-48(2,3)59(4,5)58-44(40-24-26-43(53)46-41(40)25-27-45(54)52-46)32-50-29-28-33-14-19-37(20-15-33)56-30-10-9-11-34-16-23-39(35-12-7-6-8-13-35)42(31-34)51-47(55)57-38-21-17-36(49)18-22-38/h6-8,12-16,19-20,23-27,31,36,38,44,50,53H,9-11,17-18,21-22,28-30,32,49H2,1-5H3,(H,51,55)(H,52,54)/t36?,38?,44-/m0/s1.

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

(4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate has a molecular weight of 819.13 g/mol, XLogP of 10.02, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminocyclohexyl) N-[5-[4-[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate is sourced from PubChem (CID 90239534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).