N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide

C16H12BrN3O — CID 104576514

IUPACN-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nccnc23)cc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11(9-13(10)17)20-16(21)12-3-2-4-14-15(12)19-8-7-18-14/h2-9H,1H3,(H,20,21)
InChIKeyPQTKKCMZTDDLOM-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide

N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide (PubChem CID 104576514) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
PubChem CID104576514
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nccnc23)cc1Br
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11(9-13(10)17)20-16(21)12-3-2-4-14-15(12)19-8-7-18-14/h2-9H,1H3,(H,20,21)
InChIKeyPQTKKCMZTDDLOM-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-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide (CID 104576514) is N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3nccnc23)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide?
The InChIKey is PQTKKCMZTDDLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-5-6-11(9-13(10)17)20-16(21)12-3-2-4-14-15(12)19-8-7-18-14/h2-9H,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104576514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).