6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one

C13H15NO4S — CID 12807853

IUPAC6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(CS(C)(=O)=O)cn2C
InChIInChI=1S/C13H15NO4S/c1-14-7-9(8-19(3,16)17)13(15)11-6-10(18-2)4-5-12(11)14/h4-7H,8H2,1-3H3
InChIKeyHKYGKANUOGTPPT-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.09
Rot. Bonds3

About 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one

6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one (PubChem CID 12807853) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
PubChem CID12807853
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(CS(C)(=O)=O)cn2C
InChIInChI=1S/C13H15NO4S/c1-14-7-9(8-19(3,16)17)13(15)11-6-10(18-2)4-5-12(11)14/h4-7H,8H2,1-3H3
InChIKeyHKYGKANUOGTPPT-UHFFFAOYSA-N
XLogP1.09
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
7-fluoro-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807838
2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70510387
3-bromo-5-methoxy-1-methylindole
CID 67003649
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
CID 70037660

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one?
The IUPAC name of 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one (CID 12807853) is 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one.
What is the SMILES notation for 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one?
The canonical SMILES for 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one is COc1ccc2c(c1)c(=O)c(CS(C)(=O)=O)cn2C.
What is the InChIKey of 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one?
The InChIKey is HKYGKANUOGTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-14-7-9(8-19(3,16)17)13(15)11-6-10(18-2)4-5-12(11)14/h4-7H,8H2,1-3H3.
What are the key properties of 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one?
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one has a molecular weight of 281.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one is sourced from PubChem (CID 12807853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).