N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide

C16H12BrN3O — CID 60730289

IUPACN-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-2-4-12(9-13(10)17)20-16(21)11-3-5-14-15(8-11)19-7-6-18-14/h2-9H,1H3,(H,20,21)
InChIKeySOROPPNMJFCWKV-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide

N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide (PubChem CID 60730289) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
PubChem CID60730289
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-2-4-12(9-13(10)17)20-16(21)11-3-5-14-15(8-11)19-7-6-18-14/h2-9H,1H3,(H,20,21)
InChIKeySOROPPNMJFCWKV-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

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide (CID 60730289) is N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide?
The InChIKey is SOROPPNMJFCWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-2-4-12(9-13(10)17)20-16(21)11-3-5-14-15(8-11)19-7-6-18-14/h2-9H,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 60730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).