2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline

C21H21FN4 — CID 134125191

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4/c1-25-12-14-26(15-13-25)21-20(11-8-16-6-9-17(22)10-7-16)23-18-4-2-3-5-19(18)24-21/h2-11H,12-15H2,1H3/b11-8+
InChIKeyXHAPNJHAHQUFEZ-DHZHZOJOSA-N
MW348.43 g/mol
LogP3.69
Rot. Bonds3

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline

2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 134125191) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID134125191
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4/c1-25-12-14-26(15-13-25)21-20(11-8-16-6-9-17(22)10-7-16)23-18-4-2-3-5-19(18)24-21/h2-11H,12-15H2,1H3/b11-8+
InChIKeyXHAPNJHAHQUFEZ-DHZHZOJOSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
CID 92914556
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
CID 2930485
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599460
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853598
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
CID 5293130
2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
CID 12676683
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 19829965

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline (CID 134125191) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is XHAPNJHAHQUFEZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H21FN4/c1-25-12-14-26(15-13-25)21-20(11-8-16-6-9-17(22)10-7-16)23-18-4-2-3-5-19(18)24-21/h2-11H,12-15H2,1H3/b11-8+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline?
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 348.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 134125191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).