2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline

C21H24N4O — CID 24853594

IUPAC2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-26-21-20(25-13-11-24(2)12-14-25)22-18-5-3-4-6-19(18)23-21/h3-10H,11-15H2,1-2H3
InChIKeyRWWSYZFWBKIOPV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds4

About 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline

2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24853594) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24853594
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-26-21-20(25-13-11-24(2)12-14-25)22-18-5-3-4-6-19(18)23-21/h3-10H,11-15H2,1-2H3
InChIKeyRWWSYZFWBKIOPV-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706474
2-Methyl-3-((6-(piperidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706533
4-[3-[(4-Nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
CID 2469334
4-[3-(2-Phenoxyethoxy)-2-quinoxalinyl]morpholine
CID 2562124
2-[(3-Chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853595
2-(3-Methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853597
2-(4-Methylpiperazin-1-yl)-3-phenoxyquinoxaline
CID 24854637
2-(4-Methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
CID 24854638
2-(4-Methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
CID 24854639
2-(4-Methylpiperazin-1-yl)-3-(pyridin-2-ylmethoxy)quinoxaline
CID 24854640
2-[(4-Methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24854703
6-Chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
CID 44563707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24853594) is 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is Cc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is RWWSYZFWBKIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-26-21-20(25-13-11-24(2)12-14-25)22-18-5-3-4-6-19(18)23-21/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 348.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24853594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).