3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one

C18H13N3O — CID 3986027

IUPAC3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one
SMILESNc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O
InChIInChI=1S/C18H13N3O/c19-14-8-4-3-7-13(14)17-18(22)21-16-10-12-6-2-1-5-11(12)9-15(16)20-17/h1-10H,19H2,(H,21,22)
InChIKeyHPXYNQDLLRNQEM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.33
Rot. Bonds1

About 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one

3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one (PubChem CID 3986027) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one
PubChem CID3986027
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one
SMILESNc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O
InChIInChI=1S/C18H13N3O/c19-14-8-4-3-7-13(14)17-18(22)21-16-10-12-6-2-1-5-11(12)9-15(16)20-17/h1-10H,19H2,(H,21,22)
InChIKeyHPXYNQDLLRNQEM-UHFFFAOYSA-N
XLogP3.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one?
The IUPAC name of 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one (CID 3986027) is 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one.
What is the SMILES notation for 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one?
The canonical SMILES for 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one is Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O.
What is the InChIKey of 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one?
The InChIKey is HPXYNQDLLRNQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-14-8-4-3-7-13(14)17-18(22)21-16-10-12-6-2-1-5-11(12)9-15(16)20-17/h1-10H,19H2,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one?
3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1H-benzo[g]quinoxalin-2-one is sourced from PubChem (CID 3986027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).