2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine

C40H38N8 — CID 56954510

IUPAC2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C40H38N8/c41-39-35-37(29-19-11-13-21-31(29)43-39)47(25-27-15-5-3-6-16-27)33(45-35)23-9-1-2-10-24-34-46-36-38(48(34)26-28-17-7-4-8-18-28)30-20-12-14-22-32(30)44-40(36)42/h3-8,11-22H,1-2,9-10,23-26H2,(H2,41,43)(H2,42,44)
InChIKeyVZNBCXDUDOJOCE-UHFFFAOYSA-N
MW630.80 g/mol
LogP8.09
Rot. Bonds11

About 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine

2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (PubChem CID 56954510) has the molecular formula C40H38N8 and a molecular weight of 630.80 g/mol. Its IUPAC name is 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
PubChem CID56954510
Molecular FormulaC40H38N8
Molecular Weight630.80 g/mol
Exact Mass630.32
IUPAC Name2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C40H38N8/c41-39-35-37(29-19-11-13-21-31(29)43-39)47(25-27-15-5-3-6-16-27)33(45-35)23-9-1-2-10-24-34-46-36-38(48(34)26-28-17-7-4-8-18-28)30-20-12-14-22-32(30)44-40(36)42/h3-8,11-22H,1-2,9-10,23-26H2,(H2,41,43)(H2,42,44)
InChIKeyVZNBCXDUDOJOCE-UHFFFAOYSA-N
XLogP8.09
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine 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 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (CID 56954510) is 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2c1nc(CCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is VZNBCXDUDOJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N8/c41-39-35-37(29-19-11-13-21-31(29)43-39)47(25-27-15-5-3-6-16-27)33(45-35)23-9-1-2-10-24-34-46-36-38(48(34)26-28-17-7-4-8-18-28)30-20-12-14-22-32(30)44-40(36)42/h3-8,11-22H,1-2,9-10,23-26H2,(H2,41,43)(H2,42,44).
What are the key properties of 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 630.80 g/mol, XLogP of 8.09, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)hexyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 56954510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).