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

C20H17N3O3S — CID 139885169

IUPAC1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-15-6-3-13(4-7-15)20-17(12-21)22-19-10-5-14-11-16(27(2,24)25)8-9-18(14)23(19)20/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyJUMLZWRKDLZXIA-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.92
Rot. Bonds3

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

1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile (PubChem CID 139885169) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile
PubChem CID139885169
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-15-6-3-13(4-7-15)20-17(12-21)22-19-10-5-14-11-16(27(2,24)25)8-9-18(14)23(19)20/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyJUMLZWRKDLZXIA-UHFFFAOYSA-N
XLogP2.92
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.92
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
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
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
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 22315541
1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
CID 174400263
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996083

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile (CID 139885169) is 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile is COc1ccc(-c2c(C#N)nc3n2-c2ccc(S(C)(=O)=O)cc2CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile?
The InChIKey is JUMLZWRKDLZXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-15-6-3-13(4-7-15)20-17(12-21)22-19-10-5-14-11-16(27(2,24)25)8-9-18(14)23(19)20/h3-4,6-9,11H,5,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile?
1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile has a molecular weight of 379.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-methylsulfonyl-4,5-dihydroimidazo[1,2-a]quinoline-2-carbonitrile is sourced from PubChem (CID 139885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).