N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine

C52H62N8 — CID 56954617

IUPACN,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine
SMILESCCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4c3nc(CCCC)n4Cc3ccccc3)nc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56)
InChIKeyWNHNJHXFZHSJLR-UHFFFAOYSA-N
MW799.12 g/mol
LogP12.91
Rot. Bonds23

About N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine

N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine (PubChem CID 56954617) has the molecular formula C52H62N8 and a molecular weight of 799.12 g/mol. Its IUPAC name is N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine.

Molecular Properties

Compound NameN,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine
PubChem CID56954617
Molecular FormulaC52H62N8
Molecular Weight799.12 g/mol
Exact Mass798.51
IUPAC NameN,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine
SMILESCCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4c3nc(CCCC)n4Cc3ccccc3)nc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56)
InChIKeyWNHNJHXFZHSJLR-UHFFFAOYSA-N
XLogP12.91
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.12
LogP ≤ 512.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine 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 N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine?
The IUPAC name of N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine (CID 56954617) is N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine.
What is the SMILES notation for N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine?
The canonical SMILES for N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine is CCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4c3nc(CCCC)n4Cc3ccccc3)nc3ccccc3c2n1Cc1ccccc1.
What is the InChIKey of N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine?
The InChIKey is WNHNJHXFZHSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56).
What are the key properties of N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine?
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine has a molecular weight of 799.12 g/mol, XLogP of 12.91, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine is sourced from PubChem (CID 56954617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).