7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline

C13H19ClN4 — CID 142827705

IUPAC7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(Cl)cc(N3CCNCC3)c21
InChIInChI=1S/C13H19ClN4/c1-17-5-4-16-11-8-10(14)9-12(13(11)17)18-6-2-15-3-7-18/h8-9,15-16H,2-7H2,1H3
InChIKeyNOFRHFZFPHWXLN-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.61
Rot. Bonds1

About 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline

7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 142827705) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline
PubChem CID142827705
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(Cl)cc(N3CCNCC3)c21
InChIInChI=1S/C13H19ClN4/c1-17-5-4-16-11-8-10(14)9-12(13(11)17)18-6-2-15-3-7-18/h8-9,15-16H,2-7H2,1H3
InChIKeyNOFRHFZFPHWXLN-UHFFFAOYSA-N
XLogP1.61
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline (CID 142827705) is 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline is CN1CCNc2cc(Cl)cc(N3CCNCC3)c21.
What is the InChIKey of 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is NOFRHFZFPHWXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-17-5-4-16-11-8-10(14)9-12(13(11)17)18-6-2-15-3-7-18/h8-9,15-16H,2-7H2,1H3.
What are the key properties of 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline?
7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 266.78 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 142827705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).