N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide

C24H29N5O3S — CID 10096140

IUPACN-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29N5O3S/c1-24(2,15-26-33(30,31)17-9-5-4-6-10-17)16-29-20(13-14-32-3)28-21-22(29)18-11-7-8-12-19(18)27-23(21)25/h4-12,26H,13-16H2,1-3H3,(H2,25,27)
InChIKeyXISFDWGLZLTQFZ-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.36
Rot. Bonds9

About N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide

N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 10096140) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID10096140
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29N5O3S/c1-24(2,15-26-33(30,31)17-9-5-4-6-10-17)16-29-20(13-14-32-3)28-21-22(29)18-11-7-8-12-19(18)27-23(21)25/h4-12,26H,13-16H2,1-3H3,(H2,25,27)
InChIKeyXISFDWGLZLTQFZ-UHFFFAOYSA-N
XLogP3.36
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
CID 158474542
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 20714058
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-cyanobenzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfinamide
CID 158753157
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 87579353
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
CID 167498100
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide (CID 10096140) is N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide is COCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is XISFDWGLZLTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-24(2,15-26-33(30,31)17-9-5-4-6-10-17)16-29-20(13-14-32-3)28-21-22(29)18-11-7-8-12-19(18)27-23(21)25/h4-12,26H,13-16H2,1-3H3,(H2,25,27).
What are the key properties of N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide?
N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide has a molecular weight of 467.60 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 10096140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).