2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline

C19H21N5O — CID 24854640

IUPAC2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-19(25-14-15-6-4-5-9-20-15)22-17-8-3-2-7-16(17)21-18/h2-9H,10-14H2,1H3
InChIKeyAKDNVXCTPRWAGV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline

2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline (PubChem CID 24854640) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline
PubChem CID24854640
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-19(25-14-15-6-4-5-9-20-15)22-17-8-3-2-7-16(17)21-18/h2-9H,10-14H2,1H3
InChIKeyAKDNVXCTPRWAGV-UHFFFAOYSA-N
XLogP2.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline (CID 24854640) is 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline is CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline?
The InChIKey is AKDNVXCTPRWAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-19(25-14-15-6-4-5-9-20-15)22-17-8-3-2-7-16(17)21-18/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline?
2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline has a molecular weight of 335.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline is sourced from PubChem (CID 24854640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).