4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline

C15H12BrN3O — CID 122189751

IUPAC4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2cc(Br)ccc2nc1Oc1ccc(N)cc1
InChIInChI=1S/C15H12BrN3O/c1-9-15(20-12-5-3-11(17)4-6-12)19-13-7-2-10(16)8-14(13)18-9/h2-8H,17H2,1H3
InChIKeyFPESIWYFYIZMCE-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.08
Rot. Bonds2

About 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline

4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline (PubChem CID 122189751) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
PubChem CID122189751
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2cc(Br)ccc2nc1Oc1ccc(N)cc1
InChIInChI=1S/C15H12BrN3O/c1-9-15(20-12-5-3-11(17)4-6-12)19-13-7-2-10(16)8-14(13)18-9/h2-8H,17H2,1H3
InChIKeyFPESIWYFYIZMCE-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline 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 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The IUPAC name of 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline (CID 122189751) is 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline.
What is the SMILES notation for 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The canonical SMILES for 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline is Cc1nc2cc(Br)ccc2nc1Oc1ccc(N)cc1.
What is the InChIKey of 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
The InChIKey is FPESIWYFYIZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-15(20-12-5-3-11(17)4-6-12)19-13-7-2-10(16)8-14(13)18-9/h2-8H,17H2,1H3.
What are the key properties of 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline?
4-(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 4-(6-bromo-3-methylquinoxalin-2-yl)oxyaniline is sourced from PubChem (CID 122189751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).