3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

C18H17NO4S — CID 18560078

IUPAC3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCCOc1ccc(S(=O)(=O)c2c[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C18H17NO4S/c1-3-23-13-5-7-14(8-6-13)24(21,22)17-11-19-16-9-4-12(2)10-15(16)18(17)20/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyZNHQNYOOFNWNNF-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.07
Rot. Bonds4

About 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (PubChem CID 18560078) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
PubChem CID18560078
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCCOc1ccc(S(=O)(=O)c2c[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C18H17NO4S/c1-3-23-13-5-7-14(8-6-13)24(21,22)17-11-19-16-9-4-12(2)10-15(16)18(17)20/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyZNHQNYOOFNWNNF-UHFFFAOYSA-N
XLogP3.07
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (CID 18560078) is 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is CCOc1ccc(S(=O)(=O)c2c[nH]c3ccc(C)cc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The InChIKey is ZNHQNYOOFNWNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-3-23-13-5-7-14(8-6-13)24(21,22)17-11-19-16-9-4-12(2)10-15(16)18(17)20/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one has a molecular weight of 343.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 18560078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).