N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide

C24H34N6O2 — CID 155174989

IUPACN-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide
SMILESCCNCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CCOC1C
InChIInChI=1S/C24H34N6O2/c1-4-26-15-21-28-22-23(18-9-5-6-10-19(18)27-24(22)25)30(21)13-8-7-12-29(17(3)31)20-11-14-32-16(20)2/h5-6,9-10,16,20,26H,4,7-8,11-15H2,1-3H3,(H2,25,27)
InChIKeyWVWUSJUXSWQNBR-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.08
Rot. Bonds9

About N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide

N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide (PubChem CID 155174989) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide
PubChem CID155174989
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide
SMILESCCNCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CCOC1C
InChIInChI=1S/C24H34N6O2/c1-4-26-15-21-28-22-23(18-9-5-6-10-19(18)27-24(22)25)30(21)13-8-7-12-29(17(3)31)20-11-14-32-16(20)2/h5-6,9-10,16,20,26H,4,7-8,11-15H2,1-3H3,(H2,25,27)
InChIKeyWVWUSJUXSWQNBR-UHFFFAOYSA-N
XLogP3.08
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide with MolForge

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Related Compounds

1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167045867
benzyl N-[[1-[4-[acetyl-(1,1-dioxothietan-3-yl)amino]butyl]-4-aminoimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 151070236
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide?
The IUPAC name of N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide (CID 155174989) is N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide?
The canonical SMILES for N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide is CCNCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CCOC1C.
What is the InChIKey of N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide?
The InChIKey is WVWUSJUXSWQNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-4-26-15-21-28-22-23(18-9-5-6-10-19(18)27-24(22)25)30(21)13-8-7-12-29(17(3)31)20-11-14-32-16(20)2/h5-6,9-10,16,20,26H,4,7-8,11-15H2,1-3H3,(H2,25,27).
What are the key properties of N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide?
N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide has a molecular weight of 438.58 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide is sourced from PubChem (CID 155174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).