7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione

C10H9BrN2O2 — CID 21189943

IUPAC7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H9BrN2O2/c1-2-5-3-6(11)4-7-8(5)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPOSWUJQVDLNNSZ-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.54
Rot. Bonds1

About 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione

7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 21189943) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID21189943
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H9BrN2O2/c1-2-5-3-6(11)4-7-8(5)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPOSWUJQVDLNNSZ-UHFFFAOYSA-N
XLogP1.54
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]acetate
CID 54172080
ethyl 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylate
CID 54370238
[(1S)-1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid;hydrochloride
CID 24978530
7-bromo-5-but-3-enyl-1,4-dihydroquinoxaline-2,3-dione;dihydroxy(oxo)phosphanium
CID 174411799
6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165460783
5-[(3-acetylpyrrol-1-yl)methyl]-7-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 139812210
7-bromo-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxamide
CID 18706754
6-bromo-8-ethyl-1H-quinolin-2-one
CID 81288840
2-amino-5-(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)pentanoic acid
CID 174395689
2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-4-hydroxy-3,3-dimethylbutanoic acid
CID 174442451
3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione (CID 21189943) is 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione is CCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is POSWUJQVDLNNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-5-3-6(11)4-7-8(5)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione?
7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 269.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-ethyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 21189943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).