5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride

C11H13ClN2O2 — CID 70411670

IUPAC5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
SMILESCC(N)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-6(12)7-2-4-9(14)11-8(7)3-5-10(15)13-11;/h2-6,14H,12H2,1H3,(H,13,15);1H
InChIKeyQBEWCBDFKJHDSP-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.68
Rot. Bonds1

About 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride

5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride (PubChem CID 70411670) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
PubChem CID70411670
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
SMILESCC(N)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-6(12)7-2-4-9(14)11-8(7)3-5-10(15)13-11;/h2-6,14H,12H2,1H3,(H,13,15);1H
InChIKeyQBEWCBDFKJHDSP-UHFFFAOYSA-N
XLogP1.68
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
CID 90805801
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one
CID 70668370
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
CID 70362996
4-[[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)propylamino]methyl]benzaldehyde
CID 144639002
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride (CID 70411670) is 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride is CC(N)c1ccc(O)c2[nH]c(=O)ccc12.Cl.
What is the InChIKey of 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride?
The InChIKey is QBEWCBDFKJHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-6(12)7-2-4-9(14)11-8(7)3-5-10(15)13-11;/h2-6,14H,12H2,1H3,(H,13,15);1H.
What are the key properties of 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride?
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70411670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).