2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline

C15H12BrN3O — CID 122189750

IUPAC2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2cc(Br)ccc2nc1Oc1ccccc1N
InChIInChI=1S/C15H12BrN3O/c1-9-15(20-14-5-3-2-4-11(14)17)19-12-7-6-10(16)8-13(12)18-9/h2-8H,17H2,1H3
InChIKeyUDEIRRUVZGOQOI-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.08
Rot. Bonds2

About 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline

2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline (PubChem CID 122189750) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline.

Molecular Properties

Compound Name2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
PubChem CID122189750
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2cc(Br)ccc2nc1Oc1ccccc1N
InChIInChI=1S/C15H12BrN3O/c1-9-15(20-14-5-3-2-4-11(14)17)19-12-7-6-10(16)8-13(12)18-9/h2-8H,17H2,1H3
InChIKeyUDEIRRUVZGOQOI-UHFFFAOYSA-N
XLogP4.08
TPSA61.03 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dibromo-4-methoxyphenazine
CID 49855798
1-Bromo-4-methoxyphenazine
CID 625699
2-Bromo-1-methoxyphenazine
CID 49855794
3-Bromo-1-methoxyphenazine
CID 49855796
2,4-Dibromo-1-methoxyphenazine
CID 49855795
4-(6-Bromo-3-methylquinoxalin-2-yl)oxyaniline
CID 122189751
2-(4-Bromophenoxy)quinoxaline
CID 10780617
2-Methyl-3-phenoxyquinoxaline
CID 12231785
2-(2-Bromo-4-fluorophenoxy)quinoxaline
CID 47142852
2-(2-Bromo-4-fluorophenoxy)-3-methylquinoxaline
CID 60734283
2-(4-Bromo-3-fluorophenoxy)quinoxaline
CID 64039178
2-(4-Bromo-3-fluorophenoxy)-3-methylquinoxaline
CID 65202901

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The IUPAC name of 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline (CID 122189750) is 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline.
What is the SMILES notation for 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The canonical SMILES for 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline is Cc1nc2cc(Br)ccc2nc1Oc1ccccc1N.
What is the InChIKey of 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The InChIKey is UDEIRRUVZGOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-15(20-14-5-3-2-4-11(14)17)19-12-7-6-10(16)8-13(12)18-9/h2-8H,17H2,1H3.
What are the key properties of 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline has a molecular weight of 330.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline is sourced from PubChem (CID 122189750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).