chempirical

2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline

C13H15ClN4CAS 155584-74-0262.74 g/mol

Open in Covalent MOL file
NNNNCl
Aryl halideTertiary amine

Properties

Molecular formula
C13H15ClN4
Molar mass
262.74 g/mol
Exact mass
262.0985 Da
logP
2.03Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
155584-74-0
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
InChIKey
FFXVTQDGTKEXHF-UHFFFAOYSA-N
InChI
InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Vuf 10166

Work with 2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Olanzapine thiolactam impurity1017241-36-947 % similar 2,3-Dichloroquinoxaline2213-63-047 % similar 2-(4-Methylpiperazin-1-yl)aniline180605-36-139 % similar 3-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-039 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-438 % similar (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-237 % similar 2,4-Dichloroquinazoline607-68-136 % similar [4-(4-Methylpiperazin-1-yl)phenyl]methanamine216144-45-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook