1-amino-6-methyl-2H-isoquinolin-3-one

C10H10N2O — CID 89246430

IUPAC1-amino-6-methyl-2H-isoquinolin-3-one
SMILESCc1ccc2c(N)[nH]c(=O)cc2c1
InChIInChI=1S/C10H10N2O/c1-6-2-3-8-7(4-6)5-9(13)12-10(8)11/h2-5H,1H3,(H3,11,12,13)
InChIKeyHIWYRTDILTUWMM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds

About 1-amino-6-methyl-2H-isoquinolin-3-one

1-amino-6-methyl-2H-isoquinolin-3-one (PubChem CID 89246430) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-amino-6-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-6-methyl-2H-isoquinolin-3-one
PubChem CID89246430
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-amino-6-methyl-2H-isoquinolin-3-one
SMILESCc1ccc2c(N)[nH]c(=O)cc2c1
InChIInChI=1S/C10H10N2O/c1-6-2-3-8-7(4-6)5-9(13)12-10(8)11/h2-5H,1H3,(H3,11,12,13)
InChIKeyHIWYRTDILTUWMM-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-2H-isoquinolin-3-one?
The IUPAC name of 1-amino-6-methyl-2H-isoquinolin-3-one (CID 89246430) is 1-amino-6-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 1-amino-6-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 1-amino-6-methyl-2H-isoquinolin-3-one is Cc1ccc2c(N)[nH]c(=O)cc2c1.
What is the InChIKey of 1-amino-6-methyl-2H-isoquinolin-3-one?
The InChIKey is HIWYRTDILTUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-2-3-8-7(4-6)5-9(13)12-10(8)11/h2-5H,1H3,(H3,11,12,13).
What are the key properties of 1-amino-6-methyl-2H-isoquinolin-3-one?
1-amino-6-methyl-2H-isoquinolin-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 89246430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).