6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one

C18H17NO4S — CID 2137956

IUPAC6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCCc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)cc3)c(=O)c2c1
InChIInChI=1S/C18H17NO4S/c1-3-12-4-9-16-15(10-12)18(20)17(11-19-16)24(21,22)14-7-5-13(23-2)6-8-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyLLSVMPFKYUFOEV-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.93
Rot. Bonds4

About 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one

6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 2137956) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID2137956
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCCc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)cc3)c(=O)c2c1
InChIInChI=1S/C18H17NO4S/c1-3-12-4-9-16-15(10-12)18(20)17(11-19-16)24(21,22)14-7-5-13(23-2)6-8-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyLLSVMPFKYUFOEV-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
CID 18590251
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437
3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
CID 22425109
8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 163347228
5-ethyl-1H-indole-3-sulfonyl chloride
CID 82374069
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
chloroform;4-chloro-3-(4-methoxyphenyl)sulfonylquinoline-6-carbonyl chloride;3-(4-methoxyphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylic acid;oxalyl dichloride
CID 158429860
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 22425128
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 22425158
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one (CID 2137956) is 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one is CCc1ccc2[nH]cc(S(=O)(=O)c3ccc(OC)cc3)c(=O)c2c1.
What is the InChIKey of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is LLSVMPFKYUFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-3-12-4-9-16-15(10-12)18(20)17(11-19-16)24(21,22)14-7-5-13(23-2)6-8-14/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 343.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 2137956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).