4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine

C38H42N6 — CID 71653557

About 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine

4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine (PubChem CID 71653557) has the molecular formula C38H42N6 and a molecular weight of 582.80 g/mol. Its IUPAC name is 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
• PubChem CID: 71653557
• Molecular Formula: C38H42N6
• Molecular Weight: 582.80 g/mol
• Exact Mass: 582.35
• IUPAC Name: 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
• SMILES: Cc1cccc2c(NCCCN3CCN(CCCNc4c5ccccc5nc5c(C)cccc45)CC3)c3ccccc3nc12
• InChI: InChI=1S/C38H42N6/c1-27-11-7-15-31-35(27)41-33-17-5-3-13-29(33)37(31)39-19-9-21-43-23-25-44(26-24-43)22-10-20-40-38-30-14-4-6-18-34(30)42-36-28(2)12-8-16-32(36)38/h3-8,11-18H,9-10,19-26H2,1-2H3,(H,39,41)(H,40,42)
• InChIKey: DKSGKWOLASAOAL-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 56.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.80
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine?

The IUPAC name of 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine (CID 71653557) is 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine.

What is the SMILES notation for 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine?

The canonical SMILES for 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine is Cc1cccc2c(NCCCN3CCN(CCCNc4c5ccccc5nc5c(C)cccc45)CC3)c3ccccc3nc12.

What is the InChIKey of 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine?

The InChIKey is DKSGKWOLASAOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N6/c1-27-11-7-15-31-35(27)41-33-17-5-3-13-29(33)37(31)39-19-9-21-43-23-25-44(26-24-43)22-10-20-40-38-30-14-4-6-18-34(30)42-36-28(2)12-8-16-32(36)38/h3-8,11-18H,9-10,19-26H2,1-2H3,(H,39,41)(H,40,42).

What are the key properties of 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine?

4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine has a molecular weight of 582.80 g/mol, XLogP of 7.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine is sourced from PubChem (CID 71653557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).