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

C11H13BrN2O2 — CID 117030398

IUPAC7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CCO)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c1-13-7-11(16)14(4-5-15)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyJLAASLVPCDLYQF-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.22
Rot. Bonds2

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

7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one (PubChem CID 117030398) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
PubChem CID117030398
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CCO)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O2/c1-13-7-11(16)14(4-5-15)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyJLAASLVPCDLYQF-UHFFFAOYSA-N
XLogP1.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
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
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
CID 117030990
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
CID 117006395
1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
CID 153308057
4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007059

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one (CID 117030398) is 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one is CN1CC(=O)N(CCO)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one?
The InChIKey is JLAASLVPCDLYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-13-7-11(16)14(4-5-15)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one?
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one has a molecular weight of 285.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117030398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).