N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide

C15H11BrN4O — CID 104614021

IUPACN-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H11BrN4O/c16-9-4-5-12(11(17)8-9)20-15(21)10-2-1-3-13-14(10)19-7-6-18-13/h1-8H,17H2,(H,20,21)
InChIKeyPPRVMRRAULXXMM-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.23
Rot. Bonds2

About N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide

N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide (PubChem CID 104614021) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
PubChem CID104614021
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC NameN-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H11BrN4O/c16-9-4-5-12(11(17)8-9)20-15(21)10-2-1-3-13-14(10)19-7-6-18-13/h1-8H,17H2,(H,20,21)
InChIKeyPPRVMRRAULXXMM-UHFFFAOYSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
N-(2-amino-4-bromophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115989
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide (CID 104614021) is N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide is Nc1cc(Br)ccc1NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide?
The InChIKey is PPRVMRRAULXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-9-4-5-12(11(17)8-9)20-15(21)10-2-1-3-13-14(10)19-7-6-18-13/h1-8H,17H2,(H,20,21).
What are the key properties of N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide?
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104614021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).