8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one

C11H13NO4S — CID 110635377

IUPAC8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(C)(=O)=O)CCC2=O
InChIInChI=1S/C11H13NO4S/c1-16-10-5-3-4-8-9(13)6-7-12(11(8)10)17(2,14)15/h3-5H,6-7H2,1-2H3
InChIKeyIXMMYIDZJFIVIG-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.05
Rot. Bonds2

About 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one

8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110635377) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110635377
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(C)(=O)=O)CCC2=O
InChIInChI=1S/C11H13NO4S/c1-16-10-5-3-4-8-9(13)6-7-12(11(8)10)17(2,14)15/h3-5H,6-7H2,1-2H3
InChIKeyIXMMYIDZJFIVIG-UHFFFAOYSA-N
XLogP1.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one (CID 110635377) is 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one is COc1cccc2c1N(S(C)(=O)=O)CCC2=O.
What is the InChIKey of 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is IXMMYIDZJFIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-16-10-5-3-4-8-9(13)6-7-12(11(8)10)17(2,14)15/h3-5H,6-7H2,1-2H3.
What are the key properties of 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one?
8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 255.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).