8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline

C9H11BrN2 — CID 83839922

IUPAC8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2c(Br)cccc21
InChIInChI=1S/C9H11BrN2/c1-12-6-5-11-9-7(10)3-2-4-8(9)12/h2-4,11H,5-6H2,1H3
InChIKeyAHMZYUYJDFANER-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.31
Rot. Bonds

About 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline

8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 83839922) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID83839922
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2c(Br)cccc21
InChIInChI=1S/C9H11BrN2/c1-12-6-5-11-9-7(10)3-2-4-8(9)12/h2-4,11H,5-6H2,1H3
InChIKeyAHMZYUYJDFANER-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
CID 115094785
6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413
6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 84618977
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095571
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006767
4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 84640424
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
7-bromo-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 84691711
8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095543
1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
CID 115095772
5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
CID 115094968

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline (CID 83839922) is 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline is CN1CCNc2c(Br)cccc21.
What is the InChIKey of 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is AHMZYUYJDFANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-12-6-5-11-9-7(10)3-2-4-8(9)12/h2-4,11H,5-6H2,1H3.
What are the key properties of 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 227.10 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 83839922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).