5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C21H32N2O3 — CID 91244472

IUPAC5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCCCCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C21H32N2O3/c1-2-3-4-5-6-7-8-9-14-22-15-19(25)16-10-12-18(24)21-17(16)11-13-20(26)23-21/h10-13,19,22,24-25H,2-9,14-15H2,1H3,(H,23,26)
InChIKeyTYMXWNWKLLXHFV-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.00
Rot. Bonds12

About 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 91244472) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID91244472
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCCCCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C21H32N2O3/c1-2-3-4-5-6-7-8-9-14-22-15-19(25)16-10-12-18(24)21-17(16)11-13-20(26)23-21/h10-13,19,22,24-25H,2-9,14-15H2,1H3,(H,23,26)
InChIKeyTYMXWNWKLLXHFV-UHFFFAOYSA-N
XLogP4.00
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
CID 151406566
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131
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-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl]urea
CID 91361078
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
5-[2-[6-[2-[2-(2,6-dichlorophenyl)ethylamino]ethoxy]hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 67455251
5-[(1R)-2-[[2-(hexoxymethyl)-1,3-dihydroinden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 11751310
5-[(1R)-2-[6-[2-[cyclohex-3-yn-1-yl(methyl)amino]ethoxy]hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 122698474

Frequently Asked Questions

What is the IUPAC name of 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 91244472) is 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is CCCCCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is TYMXWNWKLLXHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-2-3-4-5-6-7-8-9-14-22-15-19(25)16-10-12-18(24)21-17(16)11-13-20(26)23-21/h10-13,19,22,24-25H,2-9,14-15H2,1H3,(H,23,26).
What are the key properties of 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.00, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 91244472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).