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

C20H21ClN4O — CID 24853595

IUPAC2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(23-18-8-3-2-7-17(18)22-19)26-14-15-5-4-6-16(21)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyFPZONEXEOPIJGO-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.61
Rot. Bonds4

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

2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24853595) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24853595
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(23-18-8-3-2-7-17(18)22-19)26-14-15-5-4-6-16(21)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyFPZONEXEOPIJGO-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24853595) is 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is FPZONEXEOPIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(23-18-8-3-2-7-17(18)22-19)26-14-15-5-4-6-16(21)13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 368.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24853595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).