6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline

C19H19FN4 — CID 44581712

IUPAC6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline
SMILESCN1CCN(c2cnc3cc(F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C19H19FN4/c1-23-7-9-24(10-8-23)18-13-21-17-12-15(20)11-16(19(17)22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyAOOSUCZLZQJURM-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.19
Rot. Bonds2

About 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline

6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline (PubChem CID 44581712) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline.

Molecular Properties

Compound Name6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline
PubChem CID44581712
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline
SMILESCN1CCN(c2cnc3cc(F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C19H19FN4/c1-23-7-9-24(10-8-23)18-13-21-17-12-15(20)11-16(19(17)22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyAOOSUCZLZQJURM-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline 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 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline?
The IUPAC name of 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline (CID 44581712) is 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline.
What is the SMILES notation for 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline?
The canonical SMILES for 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline is CN1CCN(c2cnc3cc(F)cc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline?
The InChIKey is AOOSUCZLZQJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-23-7-9-24(10-8-23)18-13-21-17-12-15(20)11-16(19(17)22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline?
6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline has a molecular weight of 322.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylpiperazin-1-yl)-8-phenylquinoxaline is sourced from PubChem (CID 44581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).