6-bromo-3,7-dimethyl-1H-quinoxalin-2-one

C10H9BrN2O — CID 59874508

IUPAC6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2[nH]c(=O)c(C)nc2cc1Br
InChIInChI=1S/C10H9BrN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14)
InChIKeyXOQOODPCGHGXKH-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.30
Rot. Bonds

About 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one

6-bromo-3,7-dimethyl-1H-quinoxalin-2-one (PubChem CID 59874508) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
PubChem CID59874508
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2[nH]c(=O)c(C)nc2cc1Br
InChIInChI=1S/C10H9BrN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14)
InChIKeyXOQOODPCGHGXKH-UHFFFAOYSA-N
XLogP2.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one (CID 59874508) is 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one is Cc1cc2[nH]c(=O)c(C)nc2cc1Br.
What is the InChIKey of 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one?
The InChIKey is XOQOODPCGHGXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14).
What are the key properties of 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one?
6-bromo-3,7-dimethyl-1H-quinoxalin-2-one has a molecular weight of 253.10 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,7-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 59874508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).