2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine

C27H30N6S — CID 142033092

IUPAC2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNSc1cccc2cccnc12
InChIInChI=1S/C27H30N6S/c1-2-3-15-23-32-25-26(20-12-4-5-13-21(20)31-27(25)28)33(23)18-7-6-17-30-34-22-14-8-10-19-11-9-16-29-24(19)22/h4-5,8-14,16,30H,2-3,6-7,15,17-18H2,1H3,(H2,28,31)
InChIKeyQGHXVMSVNTZQMV-UHFFFAOYSA-N
MW470.65 g/mol
LogP6.13
Rot. Bonds10

About 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 142033092) has the molecular formula C27H30N6S and a molecular weight of 470.65 g/mol. Its IUPAC name is 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID142033092
Molecular FormulaC27H30N6S
Molecular Weight470.65 g/mol
Exact Mass470.23
IUPAC Name2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNSc1cccc2cccnc12
InChIInChI=1S/C27H30N6S/c1-2-3-15-23-32-25-26(20-12-4-5-13-21(20)31-27(25)28)33(23)18-7-6-17-30-34-22-14-8-10-19-11-9-16-29-24(19)22/h4-5,8-14,16,30H,2-3,6-7,15,17-18H2,1H3,(H2,28,31)
InChIKeyQGHXVMSVNTZQMV-UHFFFAOYSA-N
XLogP6.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[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

Related Compounds

2-butyl-1-[4-[(2,3,4,5,6-pentamethylphenyl)sulfanylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033105
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
[5-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]sulfanyl-2-methylphenyl]-methoxyazanium
CID 142033082
2-[4-amino-1-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142033120
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine (CID 142033092) is 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNSc1cccc2cccnc12.
What is the InChIKey of 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is QGHXVMSVNTZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6S/c1-2-3-15-23-32-25-26(20-12-4-5-13-21(20)31-27(25)28)33(23)18-7-6-17-30-34-22-14-8-10-19-11-9-16-29-24(19)22/h4-5,8-14,16,30H,2-3,6-7,15,17-18H2,1H3,(H2,28,31).
What are the key properties of 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 470.65 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 142033092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).