5-bromo-2-methyl-3-phenylquinoxalin-6-amine

C15H12BrN3 — CID 88990392

IUPAC5-bromo-2-methyl-3-phenylquinoxalin-6-amine
SMILESCc1nc2ccc(N)c(Br)c2nc1-c1ccccc1
InChIInChI=1S/C15H12BrN3/c1-9-14(10-5-3-2-4-6-10)19-15-12(18-9)8-7-11(17)13(15)16/h2-8H,17H2,1H3
InChIKeySUFDOWJPYBUAKW-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.95
Rot. Bonds1

About 5-bromo-2-methyl-3-phenylquinoxalin-6-amine

5-bromo-2-methyl-3-phenylquinoxalin-6-amine (PubChem CID 88990392) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-phenylquinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-3-phenylquinoxalin-6-amine
PubChem CID88990392
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name5-bromo-2-methyl-3-phenylquinoxalin-6-amine
SMILESCc1nc2ccc(N)c(Br)c2nc1-c1ccccc1
InChIInChI=1S/C15H12BrN3/c1-9-14(10-5-3-2-4-6-10)19-15-12(18-9)8-7-11(17)13(15)16/h2-8H,17H2,1H3
InChIKeySUFDOWJPYBUAKW-UHFFFAOYSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-phenylquinoxalin-6-amine?
The IUPAC name of 5-bromo-2-methyl-3-phenylquinoxalin-6-amine (CID 88990392) is 5-bromo-2-methyl-3-phenylquinoxalin-6-amine.
What is the SMILES notation for 5-bromo-2-methyl-3-phenylquinoxalin-6-amine?
The canonical SMILES for 5-bromo-2-methyl-3-phenylquinoxalin-6-amine is Cc1nc2ccc(N)c(Br)c2nc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-methyl-3-phenylquinoxalin-6-amine?
The InChIKey is SUFDOWJPYBUAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-9-14(10-5-3-2-4-6-10)19-15-12(18-9)8-7-11(17)13(15)16/h2-8H,17H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-phenylquinoxalin-6-amine?
5-bromo-2-methyl-3-phenylquinoxalin-6-amine has a molecular weight of 314.19 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-phenylquinoxalin-6-amine is sourced from PubChem (CID 88990392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).