5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one

C10H11BrN2O — CID 115095436

IUPAC5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1CC(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c1-2-13-6-9(14)12-8-5-3-4-7(11)10(8)13/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyPHJJZTUBMMSXBA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one

5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 115095436) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
PubChem CID115095436
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1CC(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c1-2-13-6-9(14)12-8-5-3-4-7(11)10(8)13/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyPHJJZTUBMMSXBA-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763
5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
CID 115094968
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one
CID 124908890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one (CID 115095436) is 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one is CCN1CC(=O)Nc2cccc(Br)c21.
What is the InChIKey of 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is PHJJZTUBMMSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-13-6-9(14)12-8-5-3-4-7(11)10(8)13/h3-5H,2,6H2,1H3,(H,12,14).
What are the key properties of 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one?
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).