1-(methylamino)-2H-isoquinolin-3-one

C10H10N2O — CID 163451045

IUPAC1-(methylamino)-2H-isoquinolin-3-one
SMILESCNc1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C10H10N2O/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10/h2-6H,1H3,(H2,11,12,13)
InChIKeyBGQBRTGTBHLDCX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.57
Rot. Bonds1

About 1-(methylamino)-2H-isoquinolin-3-one

1-(methylamino)-2H-isoquinolin-3-one (PubChem CID 163451045) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(methylamino)-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-(methylamino)-2H-isoquinolin-3-one
PubChem CID163451045
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(methylamino)-2H-isoquinolin-3-one
SMILESCNc1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C10H10N2O/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10/h2-6H,1H3,(H2,11,12,13)
InChIKeyBGQBRTGTBHLDCX-UHFFFAOYSA-N
XLogP1.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2H-isoquinolin-3-one?
The IUPAC name of 1-(methylamino)-2H-isoquinolin-3-one (CID 163451045) is 1-(methylamino)-2H-isoquinolin-3-one.
What is the SMILES notation for 1-(methylamino)-2H-isoquinolin-3-one?
The canonical SMILES for 1-(methylamino)-2H-isoquinolin-3-one is CNc1[nH]c(=O)cc2ccccc12.
What is the InChIKey of 1-(methylamino)-2H-isoquinolin-3-one?
The InChIKey is BGQBRTGTBHLDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10/h2-6H,1H3,(H2,11,12,13).
What are the key properties of 1-(methylamino)-2H-isoquinolin-3-one?
1-(methylamino)-2H-isoquinolin-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2H-isoquinolin-3-one is sourced from PubChem (CID 163451045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).