4-amino-1H-quinoxaline-2,3-dione;hydrochloride

C8H8ClN3O2 — CID 139677932

IUPAC4-amino-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCl.Nn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H7N3O2.ClH/c9-11-6-4-2-1-3-5(6)10-7(12)8(11)13;/h1-4H,9H2,(H,10,12);1H
InChIKeyKROQGTYKZNQPNC-UHFFFAOYSA-N
MW213.62 g/mol
LogP-0.17
Rot. Bonds

About 4-amino-1H-quinoxaline-2,3-dione;hydrochloride

4-amino-1H-quinoxaline-2,3-dione;hydrochloride (PubChem CID 139677932) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 4-amino-1H-quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name4-amino-1H-quinoxaline-2,3-dione;hydrochloride
PubChem CID139677932
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name4-amino-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCl.Nn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H7N3O2.ClH/c9-11-6-4-2-1-3-5(6)10-7(12)8(11)13;/h1-4H,9H2,(H,10,12);1H
InChIKeyKROQGTYKZNQPNC-UHFFFAOYSA-N
XLogP-0.17
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-1H-quinoxaline-2,3-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride
CID 23470781
4-nitro-1H-quinoxaline-2,3-dione
CID 54430486
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 68841950
tert-butyl 2,3-dioxo-4H-quinoxaline-1-carboxylate
CID 54078336
1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
CID 12917041
4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
CID 19980277
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574
3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879

Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 4-amino-1H-quinoxaline-2,3-dione;hydrochloride (CID 139677932) is 4-amino-1H-quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 4-amino-1H-quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 4-amino-1H-quinoxaline-2,3-dione;hydrochloride is Cl.Nn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-amino-1H-quinoxaline-2,3-dione;hydrochloride?
The InChIKey is KROQGTYKZNQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c9-11-6-4-2-1-3-5(6)10-7(12)8(11)13;/h1-4H,9H2,(H,10,12);1H.
What are the key properties of 4-amino-1H-quinoxaline-2,3-dione;hydrochloride?
4-amino-1H-quinoxaline-2,3-dione;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 139677932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).