6-methoxy-3-methyl-8aH-isoquinolin-1-one

C11H11NO2 — CID 85438162

IUPAC6-methoxy-3-methyl-8aH-isoquinolin-1-one
SMILESCOC1=CC2=CC(C)=NC(=O)C2C=C1
InChIInChI=1S/C11H11NO2/c1-7-5-8-6-9(14-2)3-4-10(8)11(13)12-7/h3-6,10H,1-2H3
InChIKeyABPYYUBZGXZXRC-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.63
Rot. Bonds1

About 6-methoxy-3-methyl-8aH-isoquinolin-1-one

6-methoxy-3-methyl-8aH-isoquinolin-1-one (PubChem CID 85438162) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methoxy-3-methyl-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-8aH-isoquinolin-1-one
PubChem CID85438162
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methoxy-3-methyl-8aH-isoquinolin-1-one
SMILESCOC1=CC2=CC(C)=NC(=O)C2C=C1
InChIInChI=1S/C11H11NO2/c1-7-5-8-6-9(14-2)3-4-10(8)11(13)12-7/h3-6,10H,1-2H3
InChIKeyABPYYUBZGXZXRC-UHFFFAOYSA-N
XLogP1.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxy-3,4-dihydro-1-benzazepin-2-one
CID 146170528
7-fluoro-6-methoxy-8aH-isoquinolin-1-one
CID 91363585
4-chloro-7-methoxy-8aH-isoquinolin-1-one
CID 123353542
5-Methoxy-3-prop-2-enylindol-2-one
CID 168156283
6-methoxy-2-oxo-3H-quinoline-3-carbonitrile
CID 45025986
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
7-methoxy-8aH-isoquinolin-1-one
CID 71304048
6-methoxy-4aH-quinolin-2-one
CID 71650454
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
2-chloro-7-methoxy-4aH-quinazolin-4-one
CID 76026646
7-methoxy-4aH-quinazolin-4-one
CID 76845686
6-ethoxy-4aH-quinazolin-4-one
CID 77620783

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-8aH-isoquinolin-1-one?
The IUPAC name of 6-methoxy-3-methyl-8aH-isoquinolin-1-one (CID 85438162) is 6-methoxy-3-methyl-8aH-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-3-methyl-8aH-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-3-methyl-8aH-isoquinolin-1-one is COC1=CC2=CC(C)=NC(=O)C2C=C1.
What is the InChIKey of 6-methoxy-3-methyl-8aH-isoquinolin-1-one?
The InChIKey is ABPYYUBZGXZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-5-8-6-9(14-2)3-4-10(8)11(13)12-7/h3-6,10H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-8aH-isoquinolin-1-one?
6-methoxy-3-methyl-8aH-isoquinolin-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-8aH-isoquinolin-1-one is sourced from PubChem (CID 85438162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).