7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one

C18H19NO4S — CID 44723602

IUPAC7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C(C)CC2=O
InChIInChI=1S/C18H19NO4S/c1-12-4-7-15(8-5-12)24(21,22)19-13(2)10-18(20)16-9-6-14(23-3)11-17(16)19/h4-9,11,13H,10H2,1-3H3
InChIKeyJODDJBUDEZKSBE-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.17
Rot. Bonds3

About 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one

7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 44723602) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID44723602
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C(C)CC2=O
InChIInChI=1S/C18H19NO4S/c1-12-4-7-15(8-5-12)24(21,22)19-13(2)10-18(20)16-9-6-14(23-3)11-17(16)19/h4-9,11,13H,10H2,1-3H3
InChIKeyJODDJBUDEZKSBE-UHFFFAOYSA-N
XLogP3.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one
CID 178178489
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 71664347

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 44723602) is 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C(C)CC2=O.
What is the InChIKey of 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is JODDJBUDEZKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-12-4-7-15(8-5-12)24(21,22)19-13(2)10-18(20)16-9-6-14(23-3)11-17(16)19/h4-9,11,13H,10H2,1-3H3.
What are the key properties of 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 345.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 44723602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).