6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline

C26H30N6O — CID 122180611

IUPAC6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C26H30N6O/c1-33-26-9-3-2-8-25(26)31-17-15-30(16-18-31)13-4-5-14-32-20-24(28-29-32)22-10-11-23-21(19-22)7-6-12-27-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3
InChIKeyDFHPWPGRLKWZOX-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.10
Rot. Bonds8

About 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline

6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline (PubChem CID 122180611) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline
PubChem CID122180611
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C26H30N6O/c1-33-26-9-3-2-8-25(26)31-17-15-30(16-18-31)13-4-5-14-32-20-24(28-29-32)22-10-11-23-21(19-22)7-6-12-27-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3
InChIKeyDFHPWPGRLKWZOX-UHFFFAOYSA-N
XLogP4.10
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline 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

4-[4-[1-(4-Quinolyloxy)ethyl]triazol-1-yl]benzonitrile
CID 44222803
8-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
CID 56673717
4-[4-[6-[2-(2-Morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
CID 122219230
(2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-[4-(8-methoxyquinolin-6-yl)triazol-1-yl]propan-2-ol
CID 170434211
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10475467
8-(3-(2-(3-Methylcyclopenta-1,3-dienyl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 44405507
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
1-(2-Methoxyphenyl)-4-[4-(4-pyridin-3-yltriazol-1-yl)butyl]piperazine
CID 72191067
N-[(4-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline
CID 90665370
5-[4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]isoquinoline
CID 118719794

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline?
The IUPAC name of 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline (CID 122180611) is 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline.
What is the SMILES notation for 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline?
The canonical SMILES for 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline is COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1.
What is the InChIKey of 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline?
The InChIKey is DFHPWPGRLKWZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-33-26-9-3-2-8-25(26)31-17-15-30(16-18-31)13-4-5-14-32-20-24(28-29-32)22-10-11-23-21(19-22)7-6-12-27-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3.
What are the key properties of 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline?
6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline has a molecular weight of 442.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline is sourced from PubChem (CID 122180611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).