2-(4-bromophenyl)-3-methylquinoxaline

C15H11BrN2 — CID 14302203

IUPAC2-(4-bromophenyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10/h2-9H,1H3
InChIKeyNBTQZMRLWPQCHO-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.37
Rot. Bonds1

About 2-(4-bromophenyl)-3-methylquinoxaline

2-(4-bromophenyl)-3-methylquinoxaline (PubChem CID 14302203) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methylquinoxaline
PubChem CID14302203
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name2-(4-bromophenyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10/h2-9H,1H3
InChIKeyNBTQZMRLWPQCHO-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 2-(4-bromophenyl)-3-methylquinoxaline?
The IUPAC name of 2-(4-bromophenyl)-3-methylquinoxaline (CID 14302203) is 2-(4-bromophenyl)-3-methylquinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)-3-methylquinoxaline?
The canonical SMILES for 2-(4-bromophenyl)-3-methylquinoxaline is Cc1nc2ccccc2nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methylquinoxaline?
The InChIKey is NBTQZMRLWPQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-3-methylquinoxaline?
2-(4-bromophenyl)-3-methylquinoxaline 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 2-(4-bromophenyl)-3-methylquinoxaline is sourced from PubChem (CID 14302203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).