8-bromo-1,3-dimethylquinoxalin-2-one

C10H9BrN2O — CID 75486181

IUPAC8-bromo-1,3-dimethylquinoxalin-2-one
SMILESCc1nc2cccc(Br)c2n(C)c1=O
InChIInChI=1S/C10H9BrN2O/c1-6-10(14)13(2)9-7(11)4-3-5-8(9)12-6/h3-5H,1-2H3
InChIKeyQRZBYGLELAGHRV-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.00
Rot. Bonds

About 8-bromo-1,3-dimethylquinoxalin-2-one

8-bromo-1,3-dimethylquinoxalin-2-one (PubChem CID 75486181) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 8-bromo-1,3-dimethylquinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-1,3-dimethylquinoxalin-2-one
PubChem CID75486181
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name8-bromo-1,3-dimethylquinoxalin-2-one
SMILESCc1nc2cccc(Br)c2n(C)c1=O
InChIInChI=1S/C10H9BrN2O/c1-6-10(14)13(2)9-7(11)4-3-5-8(9)12-6/h3-5H,1-2H3
InChIKeyQRZBYGLELAGHRV-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-dimethylquinoxalin-2-one?
The IUPAC name of 8-bromo-1,3-dimethylquinoxalin-2-one (CID 75486181) is 8-bromo-1,3-dimethylquinoxalin-2-one.
What is the SMILES notation for 8-bromo-1,3-dimethylquinoxalin-2-one?
The canonical SMILES for 8-bromo-1,3-dimethylquinoxalin-2-one is Cc1nc2cccc(Br)c2n(C)c1=O.
What is the InChIKey of 8-bromo-1,3-dimethylquinoxalin-2-one?
The InChIKey is QRZBYGLELAGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-10(14)13(2)9-7(11)4-3-5-8(9)12-6/h3-5H,1-2H3.
What are the key properties of 8-bromo-1,3-dimethylquinoxalin-2-one?
8-bromo-1,3-dimethylquinoxalin-2-one has a molecular weight of 253.10 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-dimethylquinoxalin-2-one is sourced from PubChem (CID 75486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).