2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine

C44H46N8 — CID 56954511

IUPAC2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCCCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)
InChIKeyDIBFYNLRFHMPNT-UHFFFAOYSA-N
MW686.91 g/mol
LogP9.65
Rot. Bonds15

About 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine

2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (PubChem CID 56954511) has the molecular formula C44H46N8 and a molecular weight of 686.91 g/mol. Its IUPAC name is 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
PubChem CID56954511
Molecular FormulaC44H46N8
Molecular Weight686.91 g/mol
Exact Mass686.38
IUPAC Name2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCCCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)
InChIKeyDIBFYNLRFHMPNT-UHFFFAOYSA-N
XLogP9.65
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.91
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-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-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (CID 56954511) is 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2c1nc(CCCCCCCCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is DIBFYNLRFHMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48).
What are the key properties of 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 686.91 g/mol, XLogP of 9.65, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)decyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 56954511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).