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

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

[1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 10078384) has the molecular formula C36H45N5O7S and a molecular weight of 691.85 g/mol. Its IUPAC name is [1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name	[1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID	10078384
Molecular Formula	C36H45N5O7S
Molecular Weight	691.85 g/mol
Exact Mass	691.30
IUPAC Name	[1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILES	O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCS(=O)(=O)NCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1
InChI	InChI=1S/C36H45N5O7S/c42-32-15-13-29(30-14-16-34(44)40-35(30)32)33(43)25-37-19-7-2-8-20-38-49(46,47)24-23-41-21-17-27(18-22-41)48-36(45)39-31-12-6-5-11-28(31)26-9-3-1-4-10-26/h1,3-6,9-16,27,33,37-38,42-43H,2,7-8,17-25H2,(H,39,45)(H,40,44)/t33-/m0/s1
InChIKey	LHMZDOHIFJYPHZ-XIFFEERXSA-N
XLogP	4.33
TPSA	173.09 Å²
H-Bond Donors	6
H-Bond Acceptors	9
Rotatable Bonds	16
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.85
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of [1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 10078384) is [1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

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

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

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

The InChIKey is LHMZDOHIFJYPHZ-XIFFEERXSA-N. The full InChI is InChI=1S/C36H45N5O7S/c42-32-15-13-29(30-14-16-34(44)40-35(30)32)33(43)25-37-19-7-2-8-20-38-49(46,47)24-23-41-21-17-27(18-22-41)48-36(45)39-31-12-6-5-11-28(31)26-9-3-1-4-10-26/h1,3-6,9-16,27,33,37-38,42-43H,2,7-8,17-25H2,(H,39,45)(H,40,44)/t33-/m0/s1.

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

[1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 691.85 g/mol, XLogP of 4.33, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylsulfamoyl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 10078384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).