N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C16H11Br2N3O3 — CID 23474637

IUPACN-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2N3O3/c1-21(13-5-3-9(17)7-10(13)18)16(24)8-2-4-11-12(6-8)20-15(23)14(22)19-11/h2-7H,1H3,(H,19,22)(H,20,23)
InChIKeyBZXABPJZWPXDJR-UHFFFAOYSA-N
MW453.09 g/mol
LogP3.02
Rot. Bonds2

About N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474637) has the molecular formula C16H11Br2N3O3 and a molecular weight of 453.09 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474637
Molecular FormulaC16H11Br2N3O3
Molecular Weight453.09 g/mol
Exact Mass450.92
IUPAC NameN-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2N3O3/c1-21(13-5-3-9(17)7-10(13)18)16(24)8-2-4-11-12(6-8)20-15(23)14(22)19-11/h2-7H,1H3,(H,19,22)(H,20,23)
InChIKeyBZXABPJZWPXDJR-UHFFFAOYSA-N
XLogP3.02
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.09
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 23474755
N-(4-tert-butylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 51123968
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91785242
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 52819475
N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 114088400
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
methyl 3-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxopropanoate
CID 82666291

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 23474637) is N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is BZXABPJZWPXDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O3/c1-21(13-5-3-9(17)7-10(13)18)16(24)8-2-4-11-12(6-8)20-15(23)14(22)19-11/h2-7H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 453.09 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).