6-bromo-3-methyl-2-phenylquinoxaline

C15H11BrN2 — CID 71589169

IUPAC6-bromo-3-methyl-2-phenylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1-c1ccccc1
InChIInChI=1S/C15H11BrN2/c1-10-15(11-5-3-2-4-6-11)18-13-8-7-12(16)9-14(13)17-10/h2-9H,1H3
InChIKeyZYPREJZBWZPALN-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.37
Rot. Bonds1

About 6-bromo-3-methyl-2-phenylquinoxaline

6-bromo-3-methyl-2-phenylquinoxaline (PubChem CID 71589169) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-phenylquinoxaline.

Molecular Properties

Compound Name6-bromo-3-methyl-2-phenylquinoxaline
PubChem CID71589169
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name6-bromo-3-methyl-2-phenylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1-c1ccccc1
InChIInChI=1S/C15H11BrN2/c1-10-15(11-5-3-2-4-6-11)18-13-8-7-12(16)9-14(13)17-10/h2-9H,1H3
InChIKeyZYPREJZBWZPALN-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-phenylquinoxaline?
The IUPAC name of 6-bromo-3-methyl-2-phenylquinoxaline (CID 71589169) is 6-bromo-3-methyl-2-phenylquinoxaline.
What is the SMILES notation for 6-bromo-3-methyl-2-phenylquinoxaline?
The canonical SMILES for 6-bromo-3-methyl-2-phenylquinoxaline is Cc1nc2cc(Br)ccc2nc1-c1ccccc1.
What is the InChIKey of 6-bromo-3-methyl-2-phenylquinoxaline?
The InChIKey is ZYPREJZBWZPALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c1-10-15(11-5-3-2-4-6-11)18-13-8-7-12(16)9-14(13)17-10/h2-9H,1H3.
What are the key properties of 6-bromo-3-methyl-2-phenylquinoxaline?
6-bromo-3-methyl-2-phenylquinoxaline has a molecular weight of 299.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-phenylquinoxaline is sourced from PubChem (CID 71589169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).