1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione

C26H35N5O2 — CID 137414048

IUPAC1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C26H35N5O2/c1-5-6-13-20-29-22-23(17-11-7-8-12-19(17)28-24(22)27)30(20)14-9-10-15-31-21(32)16-18(25(31)33)26(2,3)4/h7-8,11-12,18H,5-6,9-10,13-16H2,1-4H3,(H2,27,28)
InChIKeySLLHRGATJNPUFG-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.71
Rot. Bonds8

About 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione

1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione (PubChem CID 137414048) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione
PubChem CID137414048
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C26H35N5O2/c1-5-6-13-20-29-22-23(17-11-7-8-12-19(17)28-24(22)27)30(20)14-9-10-15-31-21(32)16-18(25(31)33)26(2,3)4/h7-8,11-12,18H,5-6,9-10,13-16H2,1-4H3,(H2,27,28)
InChIKeySLLHRGATJNPUFG-UHFFFAOYSA-N
XLogP4.71
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanamide
CID 145439399
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-[1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(3-methylcyclononyl)acetamide
CID 154972322
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione (CID 137414048) is 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione?
The InChIKey is SLLHRGATJNPUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-5-6-13-20-29-22-23(17-11-7-8-12-19(17)28-24(22)27)30(20)14-9-10-15-31-21(32)16-18(25(31)33)26(2,3)4/h7-8,11-12,18H,5-6,9-10,13-16H2,1-4H3,(H2,27,28).
What are the key properties of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione?
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione has a molecular weight of 449.60 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione is sourced from PubChem (CID 137414048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).