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

C10H9NO2 — CID 928820

IUPAC5-methoxy-2H-isoquinolin-1-one
SMILESCOc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6H,1H3,(H,11,12)
InChIKeyJTIMZAUBSBUCNK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.54
Rot. Bonds1

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

5-methoxy-2H-isoquinolin-1-one (PubChem CID 928820) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-methoxy-2H-isoquinolin-1-one
PubChem CID928820
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-methoxy-2H-isoquinolin-1-one
SMILESCOc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6H,1H3,(H,11,12)
InChIKeyJTIMZAUBSBUCNK-UHFFFAOYSA-N
XLogP1.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2H-isoquinolin-1-one?
The IUPAC name of 5-methoxy-2H-isoquinolin-1-one (CID 928820) is 5-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 5-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for 5-methoxy-2H-isoquinolin-1-one is COc1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 5-methoxy-2H-isoquinolin-1-one?
The InChIKey is JTIMZAUBSBUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6H,1H3,(H,11,12).
What are the key properties of 5-methoxy-2H-isoquinolin-1-one?
5-methoxy-2H-isoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 928820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).