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

C16H12BrN3O — CID 2448937

IUPACN-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nccnc3c2)ccc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-8-12(3-4-13(10)17)20-16(21)11-2-5-14-15(9-11)19-7-6-18-14/h2-9H,1H3,(H,20,21)
InChIKeyAXMQEKRHFCSMNT-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide (PubChem CID 2448937) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide
PubChem CID2448937
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nccnc3c2)ccc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-8-12(3-4-13(10)17)20-16(21)11-2-5-14-15(9-11)19-7-6-18-14/h2-9H,1H3,(H,20,21)
InChIKeyAXMQEKRHFCSMNT-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

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322
4-[butyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450336
N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
CID 9462807
3-methyl-N-quinolin-8-ylbenzamide
CID 849605
N-[2-(trifluoromethyl)phenyl]quinoxaline-6-carboxamide
CID 1512220
N-(2-aminophenyl)quinoxaline-6-carboxamide
CID 23648267
2-Bromo-N-quinolin-6-yl-benzamide
CID 813516
Quinoxaline-6-carboxylic acid (2-bromo-phenyl)-amide
CID 857101

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide (CID 2448937) is N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide is Cc1cc(NC(=O)c2ccc3nccnc3c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide?
The InChIKey is AXMQEKRHFCSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-8-12(3-4-13(10)17)20-16(21)11-2-5-14-15(9-11)19-7-6-18-14/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide?
N-(4-bromo-3-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-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2448937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).