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

C16H12BrN3O — CID 104577636

IUPACN-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11(17)9-14(10)20-16(21)12-3-2-4-13-15(12)19-8-7-18-13/h2-9H,1H3,(H,20,21)
InChIKeyQISRHZPUBUOJEH-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

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

N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide (PubChem CID 104577636) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
PubChem CID104577636
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11(17)9-14(10)20-16(21)12-3-2-4-13-15(12)19-8-7-18-13/h2-9H,1H3,(H,20,21)
InChIKeyQISRHZPUBUOJEH-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-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide (CID 104577636) is N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide?
The InChIKey is QISRHZPUBUOJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-5-6-11(17)9-14(10)20-16(21)12-3-2-4-13-15(12)19-8-7-18-13/h2-9H,1H3,(H,20,21).
What are the key properties of N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide?
N-(5-bromo-2-methylphenyl)quinoxaline-5-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-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104577636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).