4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide

C24H28N4O4S — CID 68999938

IUPAC4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-32-17-23-26-22-16-25-21-9-5-4-8-20(21)24(22)28(23)14-6-7-15-33(29,30)27-18-10-12-19(31-2)13-11-18/h4-5,8-13,16,27H,3,6-7,14-15,17H2,1-2H3
InChIKeyBEQBVUVTHXTBOB-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.35
Rot. Bonds11

About 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide

4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide (PubChem CID 68999938) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
PubChem CID68999938
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-32-17-23-26-22-16-25-21-9-5-4-8-20(21)24(22)28(23)14-6-7-15-33(29,30)27-18-10-12-19(31-2)13-11-18/h4-5,8-13,16,27H,3,6-7,14-15,17H2,1-2H3
InChIKeyBEQBVUVTHXTBOB-UHFFFAOYSA-N
XLogP4.35
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
CID 67203636
6-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]hexane-2-sulfonamide
CID 68817958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide?
The IUPAC name of 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide (CID 68999938) is 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide is CCOCc1nc2cnc3ccccc3c2n1CCCCS(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide?
The InChIKey is BEQBVUVTHXTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-32-17-23-26-22-16-25-21-9-5-4-8-20(21)24(22)28(23)14-6-7-15-33(29,30)27-18-10-12-19(31-2)13-11-18/h4-5,8-13,16,27H,3,6-7,14-15,17H2,1-2H3.
What are the key properties of 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide?
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide is sourced from PubChem (CID 68999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).