8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one

C26H33N3O5 — CID 24992665

IUPAC8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNCC3(O)CCN(CCOCc4ccccc4)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C26H33N3O5/c30-22-8-6-20(21-7-9-24(32)28-25(21)22)23(31)16-27-18-26(33)10-12-29(13-11-26)14-15-34-17-19-4-2-1-3-5-19/h1-9,23,27,30-31,33H,10-18H2,(H,28,32)/t23-/m0/s1
InChIKeyLHFRQVPMWAQAPF-QHCPKHFHSA-N
MW467.57 g/mol
LogP1.90
Rot. Bonds10

About 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one

8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one (PubChem CID 24992665) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one
PubChem CID24992665
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNCC3(O)CCN(CCOCc4ccccc4)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C26H33N3O5/c30-22-8-6-20(21-7-9-24(32)28-25(21)22)23(31)16-27-18-26(33)10-12-29(13-11-26)14-15-34-17-19-4-2-1-3-5-19/h1-9,23,27,30-31,33H,10-18H2,(H,28,32)/t23-/m0/s1
InChIKeyLHFRQVPMWAQAPF-QHCPKHFHSA-N
XLogP1.90
TPSA118.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[4-[[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]piperidin-1-yl]propanamide
CID 68927952
N-benzyl-3-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]piperidin-1-yl]propanamide
CID 143535728
8-hydroxy-5-[1-hydroxy-2-[2-[4-[3-[4-hydroxy-3-[1-(2-methoxyethyl)-4-phenylpiperidin-4-yl]phenyl]propoxy]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
CID 123325890
[1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]urea
CID 91361078
N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 24995829
8-hydroxy-5-[1-hydroxy-2-[[4-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propoxy]phenyl]methylamino]ethyl]-1H-quinolin-2-one
CID 123913042
1-[2-[4-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]butoxy]phenyl]acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 146255370
1-[4-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]methoxy]benzoyl]-3-phenylazetidine-3-carboxylic acid
CID 129167790
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
1-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]-3-(2-piperidin-1-ylethyl)urea
CID 160615918
4-[2-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoic acid
CID 118364118
1-[5-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pentyl]-3-(3-piperidin-1-ylpropyl)urea;(2-phenylphenyl)carbamic acid
CID 159886022

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one (CID 24992665) is 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one is O=c1ccc2c([C@@H](O)CNCC3(O)CCN(CCOCc4ccccc4)CC3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one?
The InChIKey is LHFRQVPMWAQAPF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N3O5/c30-22-8-6-20(21-7-9-24(32)28-25(21)22)23(31)16-27-18-26(33)10-12-29(13-11-26)14-15-34-17-19-4-2-1-3-5-19/h1-9,23,27,30-31,33H,10-18H2,(H,28,32)/t23-/m0/s1.
What are the key properties of 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one has a molecular weight of 467.57 g/mol, XLogP of 1.90, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[(1R)-1-hydroxy-2-[[4-hydroxy-1-(2-phenylmethoxyethyl)piperidin-4-yl]methylamino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 24992665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).