2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline

C22H26N4O2 — CID 59874572

IUPAC2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline
SMILESCOc1ccc(N2CCN(c3cc4nc(C)c(OC)nc4cc3C)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-15-13-19-20(23-16(2)22(24-19)28-4)14-21(15)26-11-9-25(10-12-26)17-5-7-18(27-3)8-6-17/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHJVGAJDMIYYFGA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds4

About 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline

2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline (PubChem CID 59874572) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline.

Molecular Properties

Compound Name2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline
PubChem CID59874572
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline
SMILESCOc1ccc(N2CCN(c3cc4nc(C)c(OC)nc4cc3C)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-15-13-19-20(23-16(2)22(24-19)28-4)14-21(15)26-11-9-25(10-12-26)17-5-7-18(27-3)8-6-17/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHJVGAJDMIYYFGA-UHFFFAOYSA-N
XLogP3.59
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-6-piperazin-1-ylquinoxaline
CID 117275293
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine
CID 59874503
1-(4-methoxyphenyl)piperidine
CID 10130315
4-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzene-1,2-diamine
CID 11461237
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 70586248
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-(4-methoxyphenyl)-4-(3-methyl-4-nitrophenyl)piperazine
CID 58723413
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-methylbenzaldehyde
CID 2771265

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline?
The IUPAC name of 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline (CID 59874572) is 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline.
What is the SMILES notation for 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline?
The canonical SMILES for 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline is COc1ccc(N2CCN(c3cc4nc(C)c(OC)nc4cc3C)CC2)cc1.
What is the InChIKey of 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline?
The InChIKey is HJVGAJDMIYYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-13-19-20(23-16(2)22(24-19)28-4)14-21(15)26-11-9-25(10-12-26)17-5-7-18(27-3)8-6-17/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline?
2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline has a molecular weight of 378.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7-dimethylquinoxaline is sourced from PubChem (CID 59874572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).