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

C24H30N4O5S — CID 24995829

IUPACN-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc2c([C@@H](O)CNC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C24H30N4O5S/c29-21-8-6-19(20-7-9-23(31)27-24(20)21)22(30)16-25-17-10-13-28(14-11-17)15-12-26-34(32,33)18-4-2-1-3-5-18/h1-9,17,22,25-26,29-30H,10-16H2,(H,27,31)/t22-/m0/s1
InChIKeyXARRXGMYSRGXNX-QFIPXVFZSA-N
MW486.59 g/mol
LogP1.30
Rot. Bonds9

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

N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 24995829) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID24995829
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc2c([C@@H](O)CNC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C24H30N4O5S/c29-21-8-6-19(20-7-9-23(31)27-24(20)21)22(30)16-25-17-10-13-28(14-11-17)15-12-26-34(32,33)18-4-2-1-3-5-18/h1-9,17,22,25-26,29-30H,10-16H2,(H,27,31)/t22-/m0/s1
InChIKeyXARRXGMYSRGXNX-QFIPXVFZSA-N
XLogP1.30
TPSA134.76 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[4-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 68926633
[1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]urea
CID 91361078
N-(1-adamantylmethyl)-3-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 24994271
cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
CID 66860626
N-[(3-chloro-2-fluorophenyl)methyl]-3-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 24994578
N-[(5-chloro-2-methylphenyl)methyl]-3-[4-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 68966573
3-[4-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 68829796
N-[(4-cyanophenyl)methyl]-3-[4-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 68926516
[1-[6-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]hexyl]piperidin-4-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 71112748
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
CID 151406566
N-benzyl-3-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]piperidin-1-yl]propanamide
CID 143535728
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 N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide (CID 24995829) is N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide is O=c1ccc2c([C@@H](O)CNC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)ccc(O)c2[nH]1.
What is the InChIKey of N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is XARRXGMYSRGXNX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N4O5S/c29-21-8-6-19(20-7-9-23(31)27-24(20)21)22(30)16-25-17-10-13-28(14-11-17)15-12-26-34(32,33)18-4-2-1-3-5-18/h1-9,17,22,25-26,29-30H,10-16H2,(H,27,31)/t22-/m0/s1.
What are the key properties of N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 486.59 g/mol, XLogP of 1.30, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24995829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).