3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline

C22H24N2O4S — CID 139885191

IUPAC3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline
SMILESCCOCc1nc(-c2ccc(OC)cc2)n2c1CCc1cc(S(C)(=O)=O)ccc1-2
InChIInChI=1S/C22H24N2O4S/c1-4-28-14-19-21-11-7-16-13-18(29(3,25)26)10-12-20(16)24(21)22(23-19)15-5-8-17(27-2)9-6-15/h5-6,8-10,12-13H,4,7,11,14H2,1-3H3
InChIKeyOUZNCFHKAHTBLJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.59
Rot. Bonds6

About 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline

3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline (PubChem CID 139885191) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline
PubChem CID139885191
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline
SMILESCCOCc1nc(-c2ccc(OC)cc2)n2c1CCc1cc(S(C)(=O)=O)ccc1-2
InChIInChI=1S/C22H24N2O4S/c1-4-28-14-19-21-11-7-16-13-18(29(3,25)26)10-12-20(16)24(21)22(23-19)15-5-8-17(27-2)9-6-15/h5-6,8-10,12-13H,4,7,11,14H2,1-3H3
InChIKeyOUZNCFHKAHTBLJ-UHFFFAOYSA-N
XLogP3.59
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline
CID 139885177
1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile
CID 139885169
1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
CID 174400263
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55873952
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736687
1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 5210323

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline?
The IUPAC name of 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline (CID 139885191) is 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline.
What is the SMILES notation for 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline?
The canonical SMILES for 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline is CCOCc1nc(-c2ccc(OC)cc2)n2c1CCc1cc(S(C)(=O)=O)ccc1-2.
What is the InChIKey of 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline?
The InChIKey is OUZNCFHKAHTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-4-28-14-19-21-11-7-16-13-18(29(3,25)26)10-12-20(16)24(21)22(23-19)15-5-8-17(27-2)9-6-15/h5-6,8-10,12-13H,4,7,11,14H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline?
3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline has a molecular weight of 412.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline is sourced from PubChem (CID 139885191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).