7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one

C12H15BrN2O2 — CID 117006379

IUPAC7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
SMILESCOCCN1C(=O)CN(C)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O2/c1-14-8-12(16)15(5-6-17-2)11-7-9(13)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHGAJAVJIIXRRBM-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.88
Rot. Bonds3

About 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one

7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one (PubChem CID 117006379) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
PubChem CID117006379
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
SMILESCOCCN1C(=O)CN(C)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O2/c1-14-8-12(16)15(5-6-17-2)11-7-9(13)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHGAJAVJIIXRRBM-UHFFFAOYSA-N
XLogP1.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
methyl 3-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)propanoate
CID 117031021
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
1-(methoxymethyl)-4-methyl-3H-quinoxalin-2-one
CID 121219968
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
6-bromo-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 23148519
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
CID 117030990
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
CID 117006395

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one (CID 117006379) is 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one is COCCN1C(=O)CN(C)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one?
The InChIKey is HGAJAVJIIXRRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-14-8-12(16)15(5-6-17-2)11-7-9(13)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one?
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one has a molecular weight of 299.17 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).