2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline

C21H27N3O4S — CID 67203636

IUPAC2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
SMILESCCOCc1nc2cnc3ccccc3c2n1CC1(OCCS(C)(=O)=O)CCC1
InChIInChI=1S/C21H27N3O4S/c1-3-27-14-19-23-18-13-22-17-8-5-4-7-16(17)20(18)24(19)15-21(9-6-10-21)28-11-12-29(2,25)26/h4-5,7-8,13H,3,6,9-12,14-15H2,1-2H3
InChIKeyQIXKUBFLCUZGCX-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.10
Rot. Bonds9

About 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline

2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline (PubChem CID 67203636) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
PubChem CID67203636
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
SMILESCCOCc1nc2cnc3ccccc3c2n1CC1(OCCS(C)(=O)=O)CCC1
InChIInChI=1S/C21H27N3O4S/c1-3-27-14-19-23-18-13-22-17-8-5-4-7-16(17)20(18)24(19)15-21(9-6-10-21)28-11-12-29(2,25)26/h4-5,7-8,13H,3,6,9-12,14-15H2,1-2H3
InChIKeyQIXKUBFLCUZGCX-UHFFFAOYSA-N
XLogP3.10
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline (CID 67203636) is 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline is CCOCc1nc2cnc3ccccc3c2n1CC1(OCCS(C)(=O)=O)CCC1.
What is the InChIKey of 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline?
The InChIKey is QIXKUBFLCUZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-27-14-19-23-18-13-22-17-8-5-4-7-16(17)20(18)24(19)15-21(9-6-10-21)28-11-12-29(2,25)26/h4-5,7-8,13H,3,6,9-12,14-15H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline?
2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline has a molecular weight of 417.53 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 67203636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).