8-methyl-2H-isoquinolin-3-one

C10H9NO — CID 53438632

IUPAC8-methyl-2H-isoquinolin-3-one
SMILESCc1cccc2cc(=O)[nH]cc12
InChIInChI=1S/C10H9NO/c1-7-3-2-4-8-5-10(12)11-6-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyAUIGWSLFJQAXNA-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.84
Rot. Bonds

About 8-methyl-2H-isoquinolin-3-one

8-methyl-2H-isoquinolin-3-one (PubChem CID 53438632) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 8-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name8-methyl-2H-isoquinolin-3-one
PubChem CID53438632
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name8-methyl-2H-isoquinolin-3-one
SMILESCc1cccc2cc(=O)[nH]cc12
InChIInChI=1S/C10H9NO/c1-7-3-2-4-8-5-10(12)11-6-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyAUIGWSLFJQAXNA-UHFFFAOYSA-N
XLogP1.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2H-isoquinolin-3-one?
The IUPAC name of 8-methyl-2H-isoquinolin-3-one (CID 53438632) is 8-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 8-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 8-methyl-2H-isoquinolin-3-one is Cc1cccc2cc(=O)[nH]cc12.
What is the InChIKey of 8-methyl-2H-isoquinolin-3-one?
The InChIKey is AUIGWSLFJQAXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-3-2-4-8-5-10(12)11-6-9(7)8/h2-6H,1H3,(H,11,12).
What are the key properties of 8-methyl-2H-isoquinolin-3-one?
8-methyl-2H-isoquinolin-3-one has a molecular weight of 159.19 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 53438632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).