1-methoxy-5-methyl-2H-isoquinolin-3-one

C11H11NO2 — CID 143957078

IUPAC1-methoxy-5-methyl-2H-isoquinolin-3-one
SMILESCOc1[nH]c(=O)cc2c(C)cccc12
InChIInChI=1S/C11H11NO2/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyYVLJBFRHPOHCCG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.85
Rot. Bonds1

About 1-methoxy-5-methyl-2H-isoquinolin-3-one

1-methoxy-5-methyl-2H-isoquinolin-3-one (PubChem CID 143957078) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methoxy-5-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-methoxy-5-methyl-2H-isoquinolin-3-one
PubChem CID143957078
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methoxy-5-methyl-2H-isoquinolin-3-one
SMILESCOc1[nH]c(=O)cc2c(C)cccc12
InChIInChI=1S/C11H11NO2/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyYVLJBFRHPOHCCG-UHFFFAOYSA-N
XLogP1.85
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Isoquinolinediol
CID 251596
1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
1-ethoxy-6-(trifluoromethyl)-2H-isoquinolin-3-one
CID 138975128
Pyrano[2,3-b]pyridine, 3,4-dihydro-7-hydroxy-5-methyl-
CID 171384690
1-hydroxy-2H-benzo[g]isoquinolin-3-one
CID 91372494
1-methoxy-2H-isoquinolin-3-one
CID 126737660
1-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 68249567
2,6-Dihydroxy-3-vinyl-4-methylpyridine
CID 13310393
6-bromo-1-ethoxy-2H-isoquinolin-3-one
CID 138974387
6-chloro-1-ethoxy-2H-isoquinolin-3-one
CID 138974970
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-2H-isoquinolin-3-one?
The IUPAC name of 1-methoxy-5-methyl-2H-isoquinolin-3-one (CID 143957078) is 1-methoxy-5-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 1-methoxy-5-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 1-methoxy-5-methyl-2H-isoquinolin-3-one is COc1[nH]c(=O)cc2c(C)cccc12.
What is the InChIKey of 1-methoxy-5-methyl-2H-isoquinolin-3-one?
The InChIKey is YVLJBFRHPOHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 1-methoxy-5-methyl-2H-isoquinolin-3-one?
1-methoxy-5-methyl-2H-isoquinolin-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 143957078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).