9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride

C12H10ClN3O2 — CID 67674687

IUPAC9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
SMILESCl.Nc1ccc2ccc3[nH]c(=O)c(=O)[nH]c3c2c1
InChIInChI=1S/C12H9N3O2.ClH/c13-7-3-1-6-2-4-9-10(8(6)5-7)15-12(17)11(16)14-9;/h1-5H,13H2,(H,14,16)(H,15,17);1H
InChIKeyZFBNOINGCBWULK-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.37
Rot. Bonds

About 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride

9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride (PubChem CID 67674687) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
PubChem CID67674687
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
SMILESCl.Nc1ccc2ccc3[nH]c(=O)c(=O)[nH]c3c2c1
InChIInChI=1S/C12H9N3O2.ClH/c13-7-3-1-6-2-4-9-10(8(6)5-7)15-12(17)11(16)14-9;/h1-5H,13H2,(H,14,16)(H,15,17);1H
InChIKeyZFBNOINGCBWULK-UHFFFAOYSA-N
XLogP1.37
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-amino-1,4-dihydrobenzo[f]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

Frequently Asked Questions

What is the IUPAC name of 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride (CID 67674687) is 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride is Cl.Nc1ccc2ccc3[nH]c(=O)c(=O)[nH]c3c2c1.
What is the InChIKey of 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride?
The InChIKey is ZFBNOINGCBWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2.ClH/c13-7-3-1-6-2-4-9-10(8(6)5-7)15-12(17)11(16)14-9;/h1-5H,13H2,(H,14,16)(H,15,17);1H.
What are the key properties of 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride?
9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride has a molecular weight of 263.68 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 67674687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).