N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide

C16H12BrN3O — CID 82712323

IUPACN-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C16H12BrN3O/c1-10-2-4-12(17)14(8-10)20-16(21)11-3-5-13-15(9-11)19-7-6-18-13/h2-9H,1H3,(H,20,21)
InChIKeyZULOQXUBJDWBHJ-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide

N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide (PubChem CID 82712323) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
PubChem CID82712323
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C16H12BrN3O/c1-10-2-4-12(17)14(8-10)20-16(21)11-3-5-13-15(9-11)19-7-6-18-13/h2-9H,1H3,(H,20,21)
InChIKeyZULOQXUBJDWBHJ-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide (CID 82712323) is N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccc3nccnc3c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide?
The InChIKey is ZULOQXUBJDWBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-2-4-12(17)14(8-10)20-16(21)11-3-5-13-15(9-11)19-7-6-18-13/h2-9H,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide?
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 82712323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).