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

C19H19NO4S — CID 20868637

IUPAC3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c2c1
InChIInChI=1S/C19H19NO4S/c1-4-24-14-6-8-17-16(10-14)19(21)18(11-20-17)25(22,23)15-7-5-12(2)13(3)9-15/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyFUYYEYHYTYDFFI-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.38
Rot. Bonds4

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

3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one (PubChem CID 20868637) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
PubChem CID20868637
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c2c1
InChIInChI=1S/C19H19NO4S/c1-4-24-14-6-8-17-16(10-14)19(21)18(11-20-17)25(22,23)15-7-5-12(2)13(3)9-15/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyFUYYEYHYTYDFFI-UHFFFAOYSA-N
XLogP3.38
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
6-{[(4-ethoxyphenyl)amino]sulfonyl}-N,N-diethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3236487
6-{[(4-ethoxyphenyl)(methyl)amino]sulfonyl}-4-oxo-N-propyl-1,4-dihydroquinoline-3-carboxamide
CID 3241453
6-[(4-Ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-N-pentyl-1,4-dihydroquinoline-3-carboxamide
CID 5047434
1-(2-chlorobenzyl)-6-ethoxy-3-tosylquinolin-4(1H)-one
CID 16009620
6-ethoxy-1-ethyl-3-tosylquinolin-4(1H)-one
CID 18559305
1-[(2-Methylpropyl)amino]-4-propoxy-9h-thioxanthen-9-one
CID 129849388
3-[(4-ethoxyphenyl)sulfonyl]quinolin-4(1H)-one
CID 16009072
2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 2136978
6-[(4-Ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-N,N-dipropyl-1,4-dihydroquinoline-3-carboxamide
CID 4418408
3-((3,4-dimethylphenyl)sulfonyl)-6-methoxyquinolin-4(1H)-one
CID 16009070
1-ethyl-6-methoxy-3-tosylquinolin-4(1H)-one
CID 18559304

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one (CID 20868637) is 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one is CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c2c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The InChIKey is FUYYEYHYTYDFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-4-24-14-6-8-17-16(10-14)19(21)18(11-20-17)25(22,23)15-7-5-12(2)13(3)9-15/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one has a molecular weight of 357.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one is sourced from PubChem (CID 20868637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).