6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one

C12H16BrN3O — CID 117006336

IUPAC6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(C)CCN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H16BrN3O/c1-15(2)5-6-16-8-12(17)14-10-4-3-9(13)7-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyYXYWIVPUGLRBHO-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.77
Rot. Bonds3

About 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one

6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 117006336) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID117006336
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(C)CCN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H16BrN3O/c1-15(2)5-6-16-8-12(17)14-10-4-3-9(13)7-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyYXYWIVPUGLRBHO-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one (CID 117006336) is 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one is CN(C)CCN1CC(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is YXYWIVPUGLRBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-15(2)5-6-16-8-12(17)14-10-4-3-9(13)7-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 298.18 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).