2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone

C21H22N4O2 — CID 2367722

IUPAC2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nc2ccccc2nc1OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-16-21(23-19-10-6-5-9-18(19)22-16)27-15-20(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyPPHXWJXLIWHMIW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone

2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2367722) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2367722
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nc2ccccc2nc1OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-16-21(23-19-10-6-5-9-18(19)22-16)27-15-20(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyPPHXWJXLIWHMIW-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 2367722) is 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone is Cc1nc2ccccc2nc1OCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is PPHXWJXLIWHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-21(23-19-10-6-5-9-18(19)22-16)27-15-20(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2367722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).