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

C20H22N4 — CID 24759623

IUPAC2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-19(15-16-7-3-2-4-8-16)21-17-9-5-6-10-18(17)22-20/h2-10H,11-15H2,1H3
InChIKeyPQQUQVYOCGJWAX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.97
Rot. Bonds3

About 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline

2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24759623) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24759623
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-19(15-16-7-3-2-4-8-16)21-17-9-5-6-10-18(17)22-20/h2-10H,11-15H2,1H3
InChIKeyPQQUQVYOCGJWAX-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24759623) is 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1.
What is the InChIKey of 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is PQQUQVYOCGJWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-19(15-16-7-3-2-4-8-16)21-17-9-5-6-10-18(17)22-20/h2-10H,11-15H2,1H3.
What are the key properties of 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline?
2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 318.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24759623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).