quinoxaline-2,3-dione;hydrochloride

C8H5ClN2O2 — CID 22073418

IUPACquinoxaline-2,3-dione;hydrochloride
SMILESCl.O=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C8H4N2O2.ClH/c11-7-8(12)10-6-4-2-1-3-5(6)9-7;/h1-4H;1H
InChIKeyRSICBKMRKNZTAO-UHFFFAOYSA-N
MW196.59 g/mol
LogP-0.59
Rot. Bonds

About quinoxaline-2,3-dione;hydrochloride

quinoxaline-2,3-dione;hydrochloride (PubChem CID 22073418) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Namequinoxaline-2,3-dione;hydrochloride
PubChem CID22073418
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Namequinoxaline-2,3-dione;hydrochloride
SMILESCl.O=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C8H4N2O2.ClH/c11-7-8(12)10-6-4-2-1-3-5(6)9-7;/h1-4H;1H
InChIKeyRSICBKMRKNZTAO-UHFFFAOYSA-N
XLogP-0.59
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of quinoxaline-2,3-dione;hydrochloride (CID 22073418) is quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for quinoxaline-2,3-dione;hydrochloride is Cl.O=C1N=c2ccccc2=NC1=O.
What is the InChIKey of quinoxaline-2,3-dione;hydrochloride?
The InChIKey is RSICBKMRKNZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2.ClH/c11-7-8(12)10-6-4-2-1-3-5(6)9-7;/h1-4H;1H.
What are the key properties of quinoxaline-2,3-dione;hydrochloride?
quinoxaline-2,3-dione;hydrochloride has a molecular weight of 196.59 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 22073418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).