5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide

C23H28N6O3S — CID 68820164

IUPAC5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCCS(N)(=O)=O
InChIInChI=1S/C23H28N6O3S/c1-2-32-15-20-28-21-22(29(20)11-4-3-5-12-33(25,30)31)18-9-8-16(13-19(18)27-23(21)24)17-7-6-10-26-14-17/h6-10,13-14H,2-5,11-12,15H2,1H3,(H2,24,27)(H2,25,30,31)
InChIKeyAGYIYWWPVKLSSI-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.22
Rot. Bonds10

About 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide (PubChem CID 68820164) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide
PubChem CID68820164
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCCS(N)(=O)=O
InChIInChI=1S/C23H28N6O3S/c1-2-32-15-20-28-21-22(29(20)11-4-3-5-12-33(25,30)31)18-9-8-16(13-19(18)27-23(21)24)17-7-6-10-26-14-17/h6-10,13-14H,2-5,11-12,15H2,1H3,(H2,24,27)(H2,25,30,31)
InChIKeyAGYIYWWPVKLSSI-UHFFFAOYSA-N
XLogP3.22
TPSA139.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide
CID 68820174
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide
CID 68818532
N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
CID 91410377
1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
CID 173204364
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
CID 59026671
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide?
The IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide (CID 68820164) is 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide.
What is the SMILES notation for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide?
The canonical SMILES for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide is CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCCS(N)(=O)=O.
What is the InChIKey of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide?
The InChIKey is AGYIYWWPVKLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-2-32-15-20-28-21-22(29(20)11-4-3-5-12-33(25,30)31)18-9-8-16(13-19(18)27-23(21)24)17-7-6-10-26-14-17/h6-10,13-14H,2-5,11-12,15H2,1H3,(H2,24,27)(H2,25,30,31).
What are the key properties of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide?
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide is sourced from PubChem (CID 68820164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).