[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone

C26H23NO4S — CID 2151438

IUPAC[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H23NO4S/c1-4-31-20-12-10-19(11-13-20)25(28)23-16-27-24-8-6-5-7-22(24)26(23)32(29,30)21-14-9-17(2)18(3)15-21/h5-16H,4H2,1-3H3
InChIKeyCIXCXJJWQTTZDL-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.31
Rot. Bonds6

About [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone

[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone (PubChem CID 2151438) has the molecular formula C26H23NO4S and a molecular weight of 445.54 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
PubChem CID2151438
Molecular FormulaC26H23NO4S
Molecular Weight445.54 g/mol
Exact Mass445.13
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H23NO4S/c1-4-31-20-12-10-19(11-13-20)25(28)23-16-27-24-8-6-5-7-22(24)26(23)32(29,30)21-14-9-17(2)18(3)15-21/h5-16H,4H2,1-3H3
InChIKeyCIXCXJJWQTTZDL-UHFFFAOYSA-N
XLogP5.31
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2138360
[6-chloro-4-(4-ethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2150597
[4-(3,4-dimethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882692
[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
CID 18559754
[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
CID 2137538
(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
CID 2138245
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
CID 7183668
[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882685
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
CID 157174733
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone (CID 2151438) is [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is CIXCXJJWQTTZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4S/c1-4-31-20-12-10-19(11-13-20)25(28)23-16-27-24-8-6-5-7-22(24)26(23)32(29,30)21-14-9-17(2)18(3)15-21/h5-16H,4H2,1-3H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 445.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 2151438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).