7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one

C11H13NO2 — CID 134913718

IUPAC7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
SMILESCOc1ccc2c(c1)CNC(C)C2=O
InChIInChI=1S/C11H13NO2/c1-7-11(13)10-4-3-9(14-2)5-8(10)6-12-7/h3-5,7,12H,6H2,1-2H3
InChIKeyZCJRWLHCPCZJNH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds1

About 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one

7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one (PubChem CID 134913718) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
PubChem CID134913718
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
SMILESCOc1ccc2c(c1)CNC(C)C2=O
InChIInChI=1S/C11H13NO2/c1-7-11(13)10-4-3-9(14-2)5-8(10)6-12-7/h3-5,7,12H,6H2,1-2H3
InChIKeyZCJRWLHCPCZJNH-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one?
The IUPAC name of 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one (CID 134913718) is 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one.
What is the SMILES notation for 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one?
The canonical SMILES for 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one is COc1ccc2c(c1)CNC(C)C2=O.
What is the InChIKey of 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one?
The InChIKey is ZCJRWLHCPCZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-11(13)10-4-3-9(14-2)5-8(10)6-12-7/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one?
7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one is sourced from PubChem (CID 134913718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).