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

C9H11BrN2 — CID 59418738

IUPAC7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C9H11BrN2/c1-12-5-4-11-8-6-7(10)2-3-9(8)12/h2-3,6,11H,4-5H2,1H3
InChIKeyDXGACWBAFPNXOZ-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.31
Rot. Bonds

About 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline

7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 59418738) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID59418738
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C9H11BrN2/c1-12-5-4-11-8-6-7(10)2-3-9(8)12/h2-3,6,11H,4-5H2,1H3
InChIKeyDXGACWBAFPNXOZ-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

1,2,3,4-Tetrahydroquinoxaline
CID 77028
1-Methyl-1,2,3,4-tetrahydroquinoxaline
CID 215850
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline
CID 270945
1-Ethyl-1,2,3,4-tetrahydroquinoxaline
CID 3056887
7-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 24707978
1-(4-Bromophenyl)-4-methylpiperazine
CID 11817675
{2-[(3-Bromophenyl)amino]ethyl}dimethylamine
CID 28581237
N-(4-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399278
N-(3-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399297
4-Bromo-N-isopropylaniline
CID 10488798
4-bromo-N-ethylaniline
CID 11745656

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline (CID 59418738) is 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline is CN1CCNc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is DXGACWBAFPNXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-12-5-4-11-8-6-7(10)2-3-9(8)12/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline?
7-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 7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 59418738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).