[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C44H49N5O6 — CID 66967762

IUPAC[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)[C@@H]2CC[C@H](NC[C@@H](O)c3ccc(OCc4ccccc4)c4[nH]c(=O)ccc34)C2)CC1
InChIInChI=1S/C44H49N5O6/c50-39(36-17-19-40(42-37(36)18-20-41(51)48-42)54-29-30-9-3-1-4-10-30)28-46-33-16-15-32(27-33)43(52)45-23-26-49-24-21-34(22-25-49)55-44(53)47-38-14-8-7-13-35(38)31-11-5-2-6-12-31/h1-14,17-20,32-34,39,46,50H,15-16,21-29H2,(H,45,52)(H,47,53)(H,48,51)/t32-,33+,39-/m1/s1
InChIKeyHXESUMOPOSRXBD-DPGJCAGUSA-N
MW743.91 g/mol
LogP6.40
Rot. Bonds14

About [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66967762) has the molecular formula C44H49N5O6 and a molecular weight of 743.91 g/mol. Its IUPAC name is [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID66967762
Molecular FormulaC44H49N5O6
Molecular Weight743.91 g/mol
Exact Mass743.37
IUPAC Name[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)[C@@H]2CC[C@H](NC[C@@H](O)c3ccc(OCc4ccccc4)c4[nH]c(=O)ccc34)C2)CC1
InChIInChI=1S/C44H49N5O6/c50-39(36-17-19-40(42-37(36)18-20-41(51)48-42)54-29-30-9-3-1-4-10-30)28-46-33-16-15-32(27-33)43(52)45-23-26-49-24-21-34(22-25-49)55-44(53)47-38-14-8-7-13-35(38)31-11-5-2-6-12-31/h1-14,17-20,32-34,39,46,50H,15-16,21-29H2,(H,45,52)(H,47,53)(H,48,51)/t32-,33+,39-/m1/s1
InChIKeyHXESUMOPOSRXBD-DPGJCAGUSA-N
XLogP6.40
TPSA145.02 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 56.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate with MolForge

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Related Compounds

[1-[2-[5-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]pentylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968086
[1-[9-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968051
[1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968070
[1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968271
[1-[2-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10258934
[1-[2-[[4-[[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968023
[1-[3-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]pentylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66968287
[1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10055489
[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
[1-[2-[6-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 129296238
[1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 68519838
5-[1-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175378779

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66967762) is [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)[C@@H]2CC[C@H](NC[C@@H](O)c3ccc(OCc4ccccc4)c4[nH]c(=O)ccc34)C2)CC1.
What is the InChIKey of [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is HXESUMOPOSRXBD-DPGJCAGUSA-N. The full InChI is InChI=1S/C44H49N5O6/c50-39(36-17-19-40(42-37(36)18-20-41(51)48-42)54-29-30-9-3-1-4-10-30)28-46-33-16-15-32(27-33)43(52)45-23-26-49-24-21-34(22-25-49)55-44(53)47-38-14-8-7-13-35(38)31-11-5-2-6-12-31/h1-14,17-20,32-34,39,46,50H,15-16,21-29H2,(H,45,52)(H,47,53)(H,48,51)/t32-,33+,39-/m1/s1.
What are the key properties of [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 743.91 g/mol, XLogP of 6.40, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[(1R,3S)-3-[[(2S)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]cyclopentanecarbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66967762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).