N-(2-bromophenyl)quinoxaline-6-carboxamide

C15H10BrN3O — CID 857101

IUPACN-(2-bromophenyl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc2nccnc2c1
InChIInChI=1S/C15H10BrN3O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,(H,19,20)
InChIKeyWBZIUJSVZVXHBV-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.64
Rot. Bonds2

About N-(2-bromophenyl)quinoxaline-6-carboxamide

N-(2-bromophenyl)quinoxaline-6-carboxamide (PubChem CID 857101) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is N-(2-bromophenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)quinoxaline-6-carboxamide
PubChem CID857101
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC NameN-(2-bromophenyl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc2nccnc2c1
InChIInChI=1S/C15H10BrN3O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,(H,19,20)
InChIKeyWBZIUJSVZVXHBV-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-bromophenyl)quinoxaline-6-carboxamide (CID 857101) is N-(2-bromophenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-bromophenyl)quinoxaline-6-carboxamide is O=C(Nc1ccccc1Br)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-bromophenyl)quinoxaline-6-carboxamide?
The InChIKey is WBZIUJSVZVXHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,(H,19,20).
What are the key properties of N-(2-bromophenyl)quinoxaline-6-carboxamide?
N-(2-bromophenyl)quinoxaline-6-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 857101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).