2-amino-1-methylisoquinolin-3-one

C10H10N2O — CID 3611209

IUPAC2-amino-1-methylisoquinolin-3-one
SMILESCc1c2ccccc2cc(=O)n1N
InChIInChI=1S/C10H10N2O/c1-7-9-5-3-2-4-8(9)6-10(13)12(7)11/h2-6H,11H2,1H3
InChIKeyMNHRYJXOQUNQIN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.02
Rot. Bonds

About 2-amino-1-methylisoquinolin-3-one

2-amino-1-methylisoquinolin-3-one (PubChem CID 3611209) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-amino-1-methylisoquinolin-3-one.

Molecular Properties

Compound Name2-amino-1-methylisoquinolin-3-one
PubChem CID3611209
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-amino-1-methylisoquinolin-3-one
SMILESCc1c2ccccc2cc(=O)n1N
InChIInChI=1S/C10H10N2O/c1-7-9-5-3-2-4-8(9)6-10(13)12(7)11/h2-6H,11H2,1H3
InChIKeyMNHRYJXOQUNQIN-UHFFFAOYSA-N
XLogP1.02
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylisoquinolin-3-one?
The IUPAC name of 2-amino-1-methylisoquinolin-3-one (CID 3611209) is 2-amino-1-methylisoquinolin-3-one.
What is the SMILES notation for 2-amino-1-methylisoquinolin-3-one?
The canonical SMILES for 2-amino-1-methylisoquinolin-3-one is Cc1c2ccccc2cc(=O)n1N.
What is the InChIKey of 2-amino-1-methylisoquinolin-3-one?
The InChIKey is MNHRYJXOQUNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-9-5-3-2-4-8(9)6-10(13)12(7)11/h2-6H,11H2,1H3.
What are the key properties of 2-amino-1-methylisoquinolin-3-one?
2-amino-1-methylisoquinolin-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylisoquinolin-3-one is sourced from PubChem (CID 3611209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).