2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

C28H35N5O2 — CID 139670744

IUPAC2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1ccc(Oc2cccc(N3CCN(CCCCOc4cnc5c(n4)CCCC5)CC3)n2)cc1
InChIInChI=1S/C28H35N5O2/c1-22-11-13-23(14-12-22)35-27-10-6-9-26(31-27)33-18-16-32(17-19-33)15-4-5-20-34-28-21-29-24-7-2-3-8-25(24)30-28/h6,9-14,21H,2-5,7-8,15-20H2,1H3
InChIKeyGTTRDVJVVYGDEF-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.83
Rot. Bonds9

About 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 139670744) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID139670744
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1ccc(Oc2cccc(N3CCN(CCCCOc4cnc5c(n4)CCCC5)CC3)n2)cc1
InChIInChI=1S/C28H35N5O2/c1-22-11-13-23(14-12-22)35-27-10-6-9-26(31-27)33-18-16-32(17-19-33)15-4-5-20-34-28-21-29-24-7-2-3-8-25(24)30-28/h6,9-14,21H,2-5,7-8,15-20H2,1H3
InChIKeyGTTRDVJVVYGDEF-UHFFFAOYSA-N
XLogP4.83
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 23368036
1-ethyl-4-[6-(4-fluorophenoxy)-2-pyridinyl]-1,4-diazepane
CID 91002810
2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654548
6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
CID 68624694
2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654545
2-[4-[4-(5,6-dimethylpyrazin-2-yl)oxybutyl]piperazin-1-yl]-4,6-dimethoxypyrimidine
CID 139654546
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
CID 22640139
1-(2-chloroethyl)-4-(6-methoxy-2-pyridinyl)-1,4-diazepane
CID 63587438
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 139670744) is 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is Cc1ccc(Oc2cccc(N3CCN(CCCCOc4cnc5c(n4)CCCC5)CC3)n2)cc1.
What is the InChIKey of 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is GTTRDVJVVYGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-22-11-13-23(14-12-22)35-27-10-6-9-26(31-27)33-18-16-32(17-19-33)15-4-5-20-34-28-21-29-24-7-2-3-8-25(24)30-28/h6,9-14,21H,2-5,7-8,15-20H2,1H3.
What are the key properties of 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 473.62 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 139670744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).