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

C38H34N8 — CID 56954509

IUPAC2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C38H34N8/c39-37-33-35(27-17-7-9-19-29(27)41-37)45(23-25-13-3-1-4-14-25)31(43-33)21-11-12-22-32-44-34-36(46(32)24-26-15-5-2-6-16-26)28-18-8-10-20-30(28)42-38(34)40/h1-10,13-20H,11-12,21-24H2,(H2,39,41)(H2,40,42)
InChIKeySDPQNBPTDHHTCB-UHFFFAOYSA-N
MW602.75 g/mol
LogP7.31
Rot. Bonds9

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

2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (PubChem CID 56954509) has the molecular formula C38H34N8 and a molecular weight of 602.75 g/mol. Its IUPAC name is 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
PubChem CID56954509
Molecular FormulaC38H34N8
Molecular Weight602.75 g/mol
Exact Mass602.29
IUPAC Name2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1nc(CCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C38H34N8/c39-37-33-35(27-17-7-9-19-29(27)41-37)45(23-25-13-3-1-4-14-25)31(43-33)21-11-12-22-32-44-34-36(46(32)24-26-15-5-2-6-16-26)28-18-8-10-20-30(28)42-38(34)40/h1-10,13-20H,11-12,21-24H2,(H2,39,41)(H2,40,42)
InChIKeySDPQNBPTDHHTCB-UHFFFAOYSA-N
XLogP7.31
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.75
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-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-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine (CID 56954509) is 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2c1nc(CCCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is SDPQNBPTDHHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N8/c39-37-33-35(27-17-7-9-19-29(27)41-37)45(23-25-13-3-1-4-14-25)31(43-33)21-11-12-22-32-44-34-36(46(32)24-26-15-5-2-6-16-26)28-18-8-10-20-30(28)42-38(34)40/h1-10,13-20H,11-12,21-24H2,(H2,39,41)(H2,40,42).
What are the key properties of 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine?
2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 602.75 g/mol, XLogP of 7.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)butyl]-1-benzylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 56954509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).