6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one

C19H19NO4S — CID 18590251

IUPAC6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(CC)cc3)c(=O)c2c1
InChIInChI=1S/C19H19NO4S/c1-3-13-5-8-15(9-6-13)25(22,23)18-12-20-17-10-7-14(24-4-2)11-16(17)19(18)21/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyXSNLEWSCXIMGLY-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.32
Rot. Bonds5

About 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one

6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 18590251) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID18590251
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(CC)cc3)c(=O)c2c1
InChIInChI=1S/C19H19NO4S/c1-3-13-5-8-15(9-6-13)25(22,23)18-12-20-17-10-7-14(24-4-2)11-16(17)19(18)21/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyXSNLEWSCXIMGLY-UHFFFAOYSA-N
XLogP3.32
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one (CID 18590251) is 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one is CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(CC)cc3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is XSNLEWSCXIMGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-3-13-5-8-15(9-6-13)25(22,23)18-12-20-17-10-7-14(24-4-2)11-16(17)19(18)21/h5-12H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one?
6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 357.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 18590251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).