1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one

C13H13BrN2O — CID 102034613

IUPAC1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c(Br)ccc2nccnc12
InChIInChI=1S/C13H13BrN2O/c1-13(2,3)12(17)10-8(14)4-5-9-11(10)16-7-6-15-9/h4-7H,1-3H3
InChIKeyLZPNFKLUMMMLGE-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.62
Rot. Bonds1

About 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one

1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 102034613) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one
PubChem CID102034613
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c(Br)ccc2nccnc12
InChIInChI=1S/C13H13BrN2O/c1-13(2,3)12(17)10-8(14)4-5-9-11(10)16-7-6-15-9/h4-7H,1-3H3
InChIKeyLZPNFKLUMMMLGE-UHFFFAOYSA-N
XLogP3.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one (CID 102034613) is 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c(Br)ccc2nccnc12.
What is the InChIKey of 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LZPNFKLUMMMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-13(2,3)12(17)10-8(14)4-5-9-11(10)16-7-6-15-9/h4-7H,1-3H3.
What are the key properties of 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one?
1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 293.16 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinoxalin-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102034613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).