3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride

C12H10ClN3O — CID 23723894

IUPAC3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride
SMILESCl.Nc1nc2cc3ccccc3cc2[nH]c1=O
InChIInChI=1S/C12H9N3O.ClH/c13-11-12(16)15-10-6-8-4-2-1-3-7(8)5-9(10)14-11;/h1-6H,(H2,13,14)(H,15,16);1H
InChIKeyFLOVJUAYNYCVOE-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.08
Rot. Bonds

About 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride

3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride (PubChem CID 23723894) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride
PubChem CID23723894
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride
SMILESCl.Nc1nc2cc3ccccc3cc2[nH]c1=O
InChIInChI=1S/C12H9N3O.ClH/c13-11-12(16)15-10-6-8-4-2-1-3-7(8)5-9(10)14-11;/h1-6H,(H2,13,14)(H,15,16);1H
InChIKeyFLOVJUAYNYCVOE-UHFFFAOYSA-N
XLogP2.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride?
The IUPAC name of 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride (CID 23723894) is 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride is Cl.Nc1nc2cc3ccccc3cc2[nH]c1=O.
What is the InChIKey of 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride?
The InChIKey is FLOVJUAYNYCVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.ClH/c13-11-12(16)15-10-6-8-4-2-1-3-7(8)5-9(10)14-11;/h1-6H,(H2,13,14)(H,15,16);1H.
What are the key properties of 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride?
3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride has a molecular weight of 247.69 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-benzo[g]quinoxalin-2-one;hydrochloride is sourced from PubChem (CID 23723894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).