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

C24H30N6O3S — CID 68820174

IUPAC5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCC(C)(C)S(N)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-4-33-15-20-29-21-22(30(20)12-6-10-24(2,3)34(26,31)32)18-9-8-16(13-19(18)28-23(21)25)17-7-5-11-27-14-17/h5,7-9,11,13-14H,4,6,10,12,15H2,1-3H3,(H2,25,28)(H2,26,31,32)
InChIKeyLXXHVEKKUXJDFX-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.61
Rot. Bonds9

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

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide (PubChem CID 68820174) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide.

Molecular Properties

Compound Name5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide
PubChem CID68820174
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCC(C)(C)S(N)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-4-33-15-20-29-21-22(30(20)12-6-10-24(2,3)34(26,31)32)18-9-8-16(13-19(18)28-23(21)25)17-7-5-11-27-14-17/h5,7-9,11,13-14H,4,6,10,12,15H2,1-3H3,(H2,25,28)(H2,26,31,32)
InChIKeyLXXHVEKKUXJDFX-UHFFFAOYSA-N
XLogP3.61
TPSA139.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide
CID 68820164
N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
CID 91410377
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide
CID 68818532
1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
CID 173204364
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
CID 59026671
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide?
The IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide (CID 68820174) is 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide.
What is the SMILES notation for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide?
The canonical SMILES for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide is CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCC(C)(C)S(N)(=O)=O.
What is the InChIKey of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide?
The InChIKey is LXXHVEKKUXJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-4-33-15-20-29-21-22(30(20)12-6-10-24(2,3)34(26,31)32)18-9-8-16(13-19(18)28-23(21)25)17-7-5-11-27-14-17/h5,7-9,11,13-14H,4,6,10,12,15H2,1-3H3,(H2,25,28)(H2,26,31,32).
What are the key properties of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide?
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide has a molecular weight of 482.61 g/mol, XLogP of 3.61, 9 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]-2-methylpentane-2-sulfonamide is sourced from PubChem (CID 68820174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).