7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one

C11H13NO2 — CID 101413043

IUPAC7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one
SMILESCOC1=CC2=CN(C)CCC2=CC1=O
InChIInChI=1S/C11H13NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-7H,3-4H2,1-2H3
InChIKeyUPORENIOMOVKGN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds1

About 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one

7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one (PubChem CID 101413043) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one
PubChem CID101413043
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one
SMILESCOC1=CC2=CN(C)CCC2=CC1=O
InChIInChI=1S/C11H13NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-7H,3-4H2,1-2H3
InChIKeyUPORENIOMOVKGN-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one?
The IUPAC name of 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one (CID 101413043) is 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one.
What is the SMILES notation for 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one?
The canonical SMILES for 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one is COC1=CC2=CN(C)CCC2=CC1=O.
What is the InChIKey of 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one?
The InChIKey is UPORENIOMOVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-7H,3-4H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one?
7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one has a molecular weight of 191.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3,4-dihydroisoquinolin-6-one is sourced from PubChem (CID 101413043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).