2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine

C23H32N4O2S — CID 143089125

IUPAC2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC1(OCCSC)CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-3-28-15-19-26-20-21(17-9-5-6-10-18(17)25-22(20)24)27(19)16-23(29-13-14-30-2)11-7-4-8-12-23/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H2,24,25)
InChIKeyXBRQQEFZIFSMBY-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.79
Rot. Bonds9

About 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 143089125) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID143089125
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC1(OCCSC)CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-3-28-15-19-26-20-21(17-9-5-6-10-18(17)25-22(20)24)27(19)16-23(29-13-14-30-2)11-7-4-8-12-23/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H2,24,25)
InChIKeyXBRQQEFZIFSMBY-UHFFFAOYSA-N
XLogP4.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

1-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexan-1-ol
CID 11646081
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
CID 67203636
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 143089125) is 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CC1(OCCSC)CCCCC1.
What is the InChIKey of 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XBRQQEFZIFSMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-3-28-15-19-26-20-21(17-9-5-6-10-18(17)25-22(20)24)27(19)16-23(29-13-14-30-2)11-7-4-8-12-23/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H2,24,25).
What are the key properties of 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 428.60 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[[1-(2-methylsulfanylethoxy)cyclohexyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143089125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).