7-bromo-3,4-dihydro-1H-quinoxalin-2-one

C8H7BrN2O — CID 24707978

IUPAC7-bromo-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(Br)cc2N1
InChIInChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKeyZITQQDFTRWZLSH-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.81
Rot. Bonds

About 7-bromo-3,4-dihydro-1H-quinoxalin-2-one

7-bromo-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 24707978) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID24707978
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name7-bromo-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(Br)cc2N1
InChIInChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKeyZITQQDFTRWZLSH-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-3,4-dihydro-1H-quinoxalin-2-one (CID 24707978) is 7-bromo-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2ccc(Br)cc2N1.
What is the InChIKey of 7-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ZITQQDFTRWZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12).
What are the key properties of 7-bromo-3,4-dihydro-1H-quinoxalin-2-one?
7-bromo-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 227.06 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 24707978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).