4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline

C24H37N3O — CID 67551289

IUPAC4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
SMILESCCCCCCCN1CCN(CCCc2ccnc3c(OC)cccc23)CC1
InChIInChI=1S/C24H37N3O/c1-3-4-5-6-7-15-26-17-19-27(20-18-26)16-9-10-21-13-14-25-24-22(21)11-8-12-23(24)28-2/h8,11-14H,3-7,9-10,15-20H2,1-2H3
InChIKeyOHAYXVNUVIRYKU-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.76
Rot. Bonds11

About 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline

4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline (PubChem CID 67551289) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline.

Molecular Properties

Compound Name4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
PubChem CID67551289
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
SMILESCCCCCCCN1CCN(CCCc2ccnc3c(OC)cccc23)CC1
InChIInChI=1S/C24H37N3O/c1-3-4-5-6-7-15-26-17-19-27(20-18-26)16-9-10-21-13-14-25-24-22(21)11-8-12-23(24)28-2/h8,11-14H,3-7,9-10,15-20H2,1-2H3
InChIKeyOHAYXVNUVIRYKU-UHFFFAOYSA-N
XLogP4.76
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline 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-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-tridecylquinolin-8-ol
CID 102274119
(8-methoxyquinolin-4-yl)methanol
CID 86714571
3-(8-methoxyquinolin-4-yl)propanal
CID 10846345
4,7-dihexyl-1,10-phenanthroline
CID 10904194
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenol
CID 15232155
4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
CID 68747183
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
CID 71678902
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline?
The IUPAC name of 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline (CID 67551289) is 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline.
What is the SMILES notation for 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline?
The canonical SMILES for 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline is CCCCCCCN1CCN(CCCc2ccnc3c(OC)cccc23)CC1.
What is the InChIKey of 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline?
The InChIKey is OHAYXVNUVIRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-3-4-5-6-7-15-26-17-19-27(20-18-26)16-9-10-21-13-14-25-24-22(21)11-8-12-23(24)28-2/h8,11-14H,3-7,9-10,15-20H2,1-2H3.
What are the key properties of 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline?
4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline has a molecular weight of 383.58 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline is sourced from PubChem (CID 67551289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).