2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline

C19H17BrN2O3S — CID 139885177

IUPAC2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(Br)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-25-14-6-3-12(4-7-14)18-19(20)21-17-10-5-13-11-15(26(2,23)24)8-9-16(13)22(17)18/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyJZDMYSBNHAASRI-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.81
Rot. Bonds3

About 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline

2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline (PubChem CID 139885177) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline.

Molecular Properties

Compound Name2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline
PubChem CID139885177
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCOc1ccc(-c2c(Br)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-25-14-6-3-12(4-7-14)18-19(20)21-17-10-5-13-11-15(26(2,23)24)8-9-16(13)22(17)18/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyJZDMYSBNHAASRI-UHFFFAOYSA-N
XLogP3.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile
CID 139885169
3-(ethoxymethyl)-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,5-a]quinoline
CID 139885191
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736687
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
1-(4-bromophenyl)-8-methoxy-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
CID 58940664
5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole
CID 175047201
1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
CID 174400263
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline?
The IUPAC name of 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline (CID 139885177) is 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline.
What is the SMILES notation for 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline?
The canonical SMILES for 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline is COc1ccc(-c2c(Br)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1.
What is the InChIKey of 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline?
The InChIKey is JZDMYSBNHAASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-25-14-6-3-12(4-7-14)18-19(20)21-17-10-5-13-11-15(26(2,23)24)8-9-16(13)22(17)18/h3-4,6-9,11H,5,10H2,1-2H3.
What are the key properties of 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline?
2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline has a molecular weight of 433.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline is sourced from PubChem (CID 139885177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).