3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one

C20H21NO4S — CID 20874622

IUPAC3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one
SMILESCCOc1ccc(S(=O)(=O)c2cn(C)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C20H21NO4S/c1-4-14-6-11-18-17(12-14)20(22)19(13-21(18)3)26(23,24)16-9-7-15(8-10-16)25-5-2/h6-13H,4-5H2,1-3H3
InChIKeyIJCJSMWOKKEBCU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.33
Rot. Bonds5

About 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one

3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one (PubChem CID 20874622) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one
PubChem CID20874622
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one
SMILESCCOc1ccc(S(=O)(=O)c2cn(C)c3ccc(CC)cc3c2=O)cc1
InChIInChI=1S/C20H21NO4S/c1-4-14-6-11-18-17(12-14)20(22)19(13-21(18)3)26(23,24)16-9-7-15(8-10-16)25-5-2/h6-13H,4-5H2,1-3H3
InChIKeyIJCJSMWOKKEBCU-UHFFFAOYSA-N
XLogP3.33
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one (CID 20874622) is 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one is CCOc1ccc(S(=O)(=O)c2cn(C)c3ccc(CC)cc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one?
The InChIKey is IJCJSMWOKKEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-4-14-6-11-18-17(12-14)20(22)19(13-21(18)3)26(23,24)16-9-7-15(8-10-16)25-5-2/h6-13H,4-5H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one?
3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one has a molecular weight of 371.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-6-ethyl-1-methylquinolin-4-one is sourced from PubChem (CID 20874622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).