7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide

C9H6BrN3O3 — CID 18706754

IUPAC7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide
SMILESNC(=O)c1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H6BrN3O3/c10-3-1-4(7(11)14)6-5(2-3)12-8(15)9(16)13-6/h1-2H,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyODOOSUMUCBKNCF-UHFFFAOYSA-N
MW284.07 g/mol
LogP0.08
Rot. Bonds1

About 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide

7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide (PubChem CID 18706754) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide
PubChem CID18706754
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC Name7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide
SMILESNC(=O)c1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H6BrN3O3/c10-3-1-4(7(11)14)6-5(2-3)12-8(15)9(16)13-6/h1-2H,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyODOOSUMUCBKNCF-UHFFFAOYSA-N
XLogP0.08
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione
CID 21189943
2-(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-2-methoxyacetic acid
CID 152625516
6-[amino-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]-6-oxohexanoic acid
CID 174395215
2-amino-5-(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)pentanoic acid
CID 174395689
ethyl 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]acetate
CID 54172080
6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid
CID 90375367
2-(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethenesulfonic acid
CID 142631299
6-[amino-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]-6-oxohex-2-enoic acid
CID 174384547
ethyl 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylate
CID 54370238
7-bromo-5-[1-ethoxy-1-oxo-2-(sulfinatoamino)propan-2-yl]-2,3-dioxo-1,4-dihydroquinoxaline
CID 174395218
7-bromo-5-but-3-enyl-1,4-dihydroquinoxaline-2,3-dione;dihydroxy(oxo)phosphanium
CID 174411799
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide?
The IUPAC name of 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide (CID 18706754) is 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide.
What is the SMILES notation for 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide?
The canonical SMILES for 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide is NC(=O)c1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide?
The InChIKey is ODOOSUMUCBKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-3-1-4(7(11)14)6-5(2-3)12-8(15)9(16)13-6/h1-2H,(H2,11,14)(H,12,15)(H,13,16).
What are the key properties of 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide?
7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide has a molecular weight of 284.07 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide is sourced from PubChem (CID 18706754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).