2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate

C48H59N5O8Si — CID 174864342

About 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate

2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate (PubChem CID 174864342) has the molecular formula C48H59N5O8Si and a molecular weight of 862.11 g/mol. Its IUPAC name is 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

• Compound Name: 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate
• PubChem CID: 174864342
• Molecular Formula: C48H59N5O8Si
• Molecular Weight: 862.11 g/mol
• Exact Mass: 861.41
• IUPAC Name: 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate
• SMILES: COc1cc2c(cc1CNCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c3[nH]c(=O)ccc13)CCN2C(=O)OCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
• InChI: InChI=1S/C48H59N5O8Si/c1-48(2,3)62(5,6)61-43(37-16-18-41(54)45-38(37)17-19-44(55)51-45)31-49-30-34-28-33-20-25-53(40(33)29-42(34)58-4)47(57)59-27-26-52-23-21-35(22-24-52)60-46(56)50-39-15-11-10-14-36(39)32-12-8-7-9-13-32/h7-19,28-29,35,43,49,54H,20-27,30-31H2,1-6H3,(H,50,56)(H,51,55)
• InChIKey: FFJZCDNJNSCYNV-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 154.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.11
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate?

The IUPAC name of 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate (CID 174864342) is 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate.

What is the SMILES notation for 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate?

The canonical SMILES for 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate is COc1cc2c(cc1CNCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c3[nH]c(=O)ccc13)CCN2C(=O)OCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.

What is the InChIKey of 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate?

The InChIKey is FFJZCDNJNSCYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59N5O8Si/c1-48(2,3)62(5,6)61-43(37-16-18-41(54)45-38(37)17-19-44(55)51-45)31-49-30-34-28-33-20-25-53(40(33)29-42(34)58-4)47(57)59-27-26-52-23-21-35(22-24-52)60-46(56)50-39-15-11-10-14-36(39)32-12-8-7-9-13-32/h7-19,28-29,35,43,49,54H,20-27,30-31H2,1-6H3,(H,50,56)(H,51,55).

What are the key properties of 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate?

2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 862.11 g/mol, XLogP of 8.97, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl 5-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 174864342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).