6-amino-3-hydroxy-1-(2-hydroxyethyl)quinoxalin-2(1H)-one hydrochloride|6-amino-3-hydroxy-1-(2-hydroxyethyl)quinoxalin-2-one hydrochloride|6-amino-3-hydroxy-1-(2-hydroxyethyl)-1,2-dihydroquinoxalin-2...

General Information

Structure

Molecular Formula

C₁₀H₁₂ClN₃O₃

Molecular Mass

257.67358

Exact Mass

257.05671894

Charge

InChI

InChI=1S/C10H11N3O3.ClH/c11-6-1-2-8-7(5-6)12-9(15)10(16)13(8)3-4-14;/h1-2,5,14H,3-4,11H2,(H,12,15);1H

InChIKey

FJVBFVANBBIEEW-UHFFFAOYSA-N

Canonic Smiles

OCCn1c2ccc(cc2nc(c1=O)O)N.Cl

Isomeric Smiles

n1(c(=O)c(nc2c1ccc(c2)N)O)CCO.Cl

Calculated Properties

JChem

Acid pKa

5.0097904

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1513618

LogD (pH = 7.4)

-2.8999968

Log P

-0.52346545

Molar Refractivity

59.7989

Polarizability

21.148232

Polar Surface Area

99.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

6-amino-3-hydroxy-1-(2-hydroxyethyl)quinoxalin-2(1H)-one hydrochloride

IUPAC Traditional name

6-amino-3-hydroxy-1-(2-hydroxyethyl)quinoxalin-2-one hydrochloride

IUPAC name

6-amino-3-hydroxy-1-(2-hydroxyethyl)-1,2-dihydroquinoxalin-2-one hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

71308068

PubChem SID

162215531

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121178