[1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C39H47N5O6 — CID 10462233

About [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 10462233) has the molecular formula C39H47N5O6 and a molecular weight of 681.83 g/mol. Its IUPAC name is [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 10462233
• Molecular Formula: C39H47N5O6
• Molecular Weight: 681.83 g/mol
• Exact Mass: 681.35
• IUPAC Name: [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: O=C(Nc1ccccc1-c1ccccc1)OC1CCN(C(C(=O)CCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2CCCN2)CC1
• InChI: InChI=1S/C39H47N5O6/c45-33-17-15-29(30-16-18-36(48)43-37(30)33)35(47)25-40-21-7-6-14-34(46)38(32-13-8-22-41-32)44-23-19-27(20-24-44)50-39(49)42-31-12-5-4-11-28(31)26-9-2-1-3-10-26/h1-5,9-12,15-18,27,32,35,38,40-41,45,47H,6-8,13-14,19-25H2,(H,42,49)(H,43,48)/t32-,35-,38?/m0/s1
• InChIKey: HVAFMFGKNDUXAG-PVIRQDTGSA-N
• XLogP: 5.10
• TPSA: 156.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	681.83
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 10462233) is [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(C(C(=O)CCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2CCCN2)CC1.

What is the InChIKey of [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is HVAFMFGKNDUXAG-PVIRQDTGSA-N. The full InChI is InChI=1S/C39H47N5O6/c45-33-17-15-29(30-16-18-36(48)43-37(30)33)35(47)25-40-21-7-6-14-34(46)38(32-13-8-22-41-32)44-23-19-27(20-24-44)50-39(49)42-31-12-5-4-11-28(31)26-9-2-1-3-10-26/h1-5,9-12,15-18,27,32,35,38,40-41,45,47H,6-8,13-14,19-25H2,(H,42,49)(H,43,48)/t32-,35-,38?/m0/s1.

What are the key properties of [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 681.83 g/mol, XLogP of 5.10, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-oxo-1-[(2S)-pyrrolidin-2-yl]hexyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 10462233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).