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

C8H6BrClN2O — CID 134174741

IUPAC5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2c(Br)cc(Cl)cc2N1
InChIInChI=1S/C8H6BrClN2O/c9-5-1-4(10)2-6-8(5)11-3-7(13)12-6/h1-2,11H,3H2,(H,12,13)
InChIKeyVFSOYPKMRSXMAD-UHFFFAOYSA-N
MW261.51 g/mol
LogP2.47
Rot. Bonds

About 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one

5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 134174741) has the molecular formula C8H6BrClN2O and a molecular weight of 261.51 g/mol. Its IUPAC name is 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID134174741
Molecular FormulaC8H6BrClN2O
Molecular Weight261.51 g/mol
Exact Mass259.94
IUPAC Name5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2c(Br)cc(Cl)cc2N1
InChIInChI=1S/C8H6BrClN2O/c9-5-1-4(10)2-6-8(5)11-3-7(13)12-6/h1-2,11H,3H2,(H,12,13)
InChIKeyVFSOYPKMRSXMAD-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one (CID 134174741) is 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2c(Br)cc(Cl)cc2N1.
What is the InChIKey of 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is VFSOYPKMRSXMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2O/c9-5-1-4(10)2-6-8(5)11-3-7(13)12-6/h1-2,11H,3H2,(H,12,13).
What are the key properties of 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one?
5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 261.51 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 134174741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).