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

C24H30N6O3S — CID 68818532

IUPAC5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1C(C)CCCCS(N)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-3-33-15-21-29-22-23(30(21)16(2)7-4-5-12-34(26,31)32)19-10-9-17(13-20(19)28-24(22)25)18-8-6-11-27-14-18/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(H2,25,28)(H2,26,31,32)
InChIKeyUUWVIYKRVVUYDV-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.79
Rot. Bonds10

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

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide (PubChem CID 68818532) 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]hexane-1-sulfonamide.

Molecular Properties

Compound Name5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide
PubChem CID68818532
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]hexane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1C(C)CCCCS(N)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-3-33-15-21-29-22-23(30(21)16(2)7-4-5-12-34(26,31)32)19-10-9-17(13-20(19)28-24(22)25)18-8-6-11-27-14-18/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(H2,25,28)(H2,26,31,32)
InChIKeyUUWVIYKRVVUYDV-UHFFFAOYSA-N
XLogP3.79
TPSA139.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.79
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]pentane-1-sulfonamide
CID 68820164
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]-2-methylpentane-2-sulfonamide
CID 68820174
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-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide
CID 90970027
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
6-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]hexane-2-sulfonamide
CID 68817958
N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
CID 11655371
2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
CID 59026671

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide?
The IUPAC name of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide (CID 68818532) is 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide.
What is the SMILES notation for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide?
The canonical SMILES for 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide is CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1C(C)CCCCS(N)(=O)=O.
What is the InChIKey of 5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide?
The InChIKey is UUWVIYKRVVUYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-3-33-15-21-29-22-23(30(21)16(2)7-4-5-12-34(26,31)32)19-10-9-17(13-20(19)28-24(22)25)18-8-6-11-27-14-18/h6,8-11,13-14,16H,3-5,7,12,15H2,1-2H3,(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]hexane-1-sulfonamide?
5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]hexane-1-sulfonamide has a molecular weight of 482.61 g/mol, XLogP of 3.79, 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]hexane-1-sulfonamide is sourced from PubChem (CID 68818532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).