1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one

C15H12BrN3O — CID 43349699

IUPAC1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
SMILESNc1cccc(Br)c1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H12BrN3O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-8H,9,17H2
InChIKeyQEIWMELYUVRMLX-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one

1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one (PubChem CID 43349699) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
PubChem CID43349699
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
SMILESNc1cccc(Br)c1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H12BrN3O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-8H,9,17H2
InChIKeyQEIWMELYUVRMLX-UHFFFAOYSA-N
XLogP2.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one 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 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one (CID 43349699) is 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one is Nc1cccc(Br)c1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one?
The InChIKey is QEIWMELYUVRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-8H,9,17H2.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one?
1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one has a molecular weight of 330.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 43349699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).