2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline

C19H20N4O — CID 2764806

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline
SMILESCOc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-16-8-6-15(7-9-16)22-10-12-23(13-11-22)19-14-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3
InChIKeyAJZXPBSDWPVYBE-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.96
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline

2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline (PubChem CID 2764806) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline
PubChem CID2764806
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline
SMILESCOc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-16-8-6-15(7-9-16)22-10-12-23(13-11-22)19-14-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3
InChIKeyAJZXPBSDWPVYBE-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline (CID 2764806) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline is COc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline?
The InChIKey is AJZXPBSDWPVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-16-8-6-15(7-9-16)22-10-12-23(13-11-22)19-14-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline?
2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline has a molecular weight of 320.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 2764806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).