8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one

C11H13BrN2O — CID 115095543

IUPAC8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2cccc(Br)c2NC(=O)C1(C)C
InChIInChI=1S/C11H13BrN2O/c1-11(2)10(15)13-9-7(12)5-4-6-8(9)14(11)3/h4-6H,1-3H3,(H,13,15)
InChIKeyDNDXSERRFKOKBM-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.62
Rot. Bonds

About 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one

8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one (PubChem CID 115095543) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
PubChem CID115095543
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2cccc(Br)c2NC(=O)C1(C)C
InChIInChI=1S/C11H13BrN2O/c1-11(2)10(15)13-9-7(12)5-4-6-8(9)14(11)3/h4-6H,1-3H3,(H,13,15)
InChIKeyDNDXSERRFKOKBM-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095429
3,3,4,7-tetramethyl-1H-quinoxalin-2-one
CID 79291288
CID 67925805
CID 67925805
5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 68708180
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
4-(3-bromo-2-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074023
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one?
The IUPAC name of 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one (CID 115095543) is 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one is CN1c2cccc(Br)c2NC(=O)C1(C)C.
What is the InChIKey of 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one?
The InChIKey is DNDXSERRFKOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-11(2)10(15)13-9-7(12)5-4-6-8(9)14(11)3/h4-6H,1-3H3,(H,13,15).
What are the key properties of 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one?
8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 115095543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).