N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide

C25H34N6O3 — CID 159437224

IUPACN-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2c(N)nc3ccccc3c2n1CCCCC(=O)C(N)CCC(C)=O)C(C)=O
InChIInChI=1S/C25H34N6O3/c1-4-30(17(3)33)15-22-29-23-24(18-9-5-6-10-20(18)28-25(23)27)31(22)14-8-7-11-21(34)19(26)13-12-16(2)32/h5-6,9-10,19H,4,7-8,11-15,26H2,1-3H3,(H2,27,28)
InChIKeySYYRQIBWRYDMHN-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.97
Rot. Bonds12

About N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide

N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide (PubChem CID 159437224) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
PubChem CID159437224
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC NameN-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2c(N)nc3ccccc3c2n1CCCCC(=O)C(N)CCC(C)=O)C(C)=O
InChIInChI=1S/C25H34N6O3/c1-4-30(17(3)33)15-22-29-23-24(18-9-5-6-10-20(18)28-25(23)27)31(22)14-8-7-11-21(34)19(26)13-12-16(2)32/h5-6,9-10,19H,4,7-8,11-15,26H2,1-3H3,(H2,27,28)
InChIKeySYYRQIBWRYDMHN-UHFFFAOYSA-N
XLogP2.97
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide with MolForge

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Related Compounds

4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
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
2-[(2R)-2-amino-3-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-3-oxopropyl]sulfanylethyl acetate
CID 90160716
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)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
CID 164947266
tert-butyl N-[3-[[(4S)-4-amino-5-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-oxopentanoyl]amino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 122591569
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide (CID 159437224) is N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide is CCN(Cc1nc2c(N)nc3ccccc3c2n1CCCCC(=O)C(N)CCC(C)=O)C(C)=O.
What is the InChIKey of N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide?
The InChIKey is SYYRQIBWRYDMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-4-30(17(3)33)15-22-29-23-24(18-9-5-6-10-20(18)28-25(23)27)31(22)14-8-7-11-21(34)19(26)13-12-16(2)32/h5-6,9-10,19H,4,7-8,11-15,26H2,1-3H3,(H2,27,28).
What are the key properties of N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide?
N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide has a molecular weight of 466.59 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-1-(6-amino-5,9-dioxodecyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 159437224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).