4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline

C36H36N6 — CID 3951536

IUPAC4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline
SMILESc1ccc2cc3c(N4CCN(CCN5CCN(c6ccnc7cc8ccccc8cc67)CC5)CC4)ccnc3cc2c1
InChIInChI=1S/C36H36N6/c1-3-7-29-25-33-31(23-27(29)5-1)35(9-11-37-33)41-19-15-39(16-20-41)13-14-40-17-21-42(22-18-40)36-10-12-38-34-26-30-8-4-2-6-28(30)24-32(34)36/h1-12,23-26H,13-22H2
InChIKeyDJSWKAQEKBRZAO-UHFFFAOYSA-N
MW552.73 g/mol
LogP6.03
Rot. Bonds5

About 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline

4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline (PubChem CID 3951536) has the molecular formula C36H36N6 and a molecular weight of 552.73 g/mol. Its IUPAC name is 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline.

Molecular Properties

Compound Name4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline
PubChem CID3951536
Molecular FormulaC36H36N6
Molecular Weight552.73 g/mol
Exact Mass552.30
IUPAC Name4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline
SMILESc1ccc2cc3c(N4CCN(CCN5CCN(c6ccnc7cc8ccccc8cc67)CC5)CC4)ccnc3cc2c1
InChIInChI=1S/C36H36N6/c1-3-7-29-25-33-31(23-27(29)5-1)35(9-11-37-33)41-19-15-39(16-20-41)13-14-40-17-21-42(22-18-40)36-10-12-38-34-26-30-8-4-2-6-28(30)24-32(34)36/h1-12,23-26H,13-22H2
InChIKeyDJSWKAQEKBRZAO-UHFFFAOYSA-N
XLogP6.03
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.73
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline?
The IUPAC name of 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline (CID 3951536) is 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline.
What is the SMILES notation for 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline?
The canonical SMILES for 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline is c1ccc2cc3c(N4CCN(CCN5CCN(c6ccnc7cc8ccccc8cc67)CC5)CC4)ccnc3cc2c1.
What is the InChIKey of 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline?
The InChIKey is DJSWKAQEKBRZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6/c1-3-7-29-25-33-31(23-27(29)5-1)35(9-11-37-33)41-19-15-39(16-20-41)13-14-40-17-21-42(22-18-40)36-10-12-38-34-26-30-8-4-2-6-28(30)24-32(34)36/h1-12,23-26H,13-22H2.
What are the key properties of 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline?
4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline has a molecular weight of 552.73 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)ethyl]piperazin-1-yl]benzo[g]quinoline is sourced from PubChem (CID 3951536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).