5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one

C12H14N2O — CID 163616268

IUPAC5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
SMILESCNc1cc(C)c2c(=O)[nH]ccc2c1C
InChIInChI=1S/C12H14N2O/c1-7-6-10(13-3)8(2)9-4-5-14-12(15)11(7)9/h4-6,13H,1-3H3,(H,14,15)
InChIKeyHKHFLLGQEVXHBN-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.19
Rot. Bonds1

About 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one

5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one (PubChem CID 163616268) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
PubChem CID163616268
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
SMILESCNc1cc(C)c2c(=O)[nH]ccc2c1C
InChIInChI=1S/C12H14N2O/c1-7-6-10(13-3)8(2)9-4-5-14-12(15)11(7)9/h4-6,13H,1-3H3,(H,14,15)
InChIKeyHKHFLLGQEVXHBN-UHFFFAOYSA-N
XLogP2.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one?
The IUPAC name of 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one (CID 163616268) is 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one.
What is the SMILES notation for 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one?
The canonical SMILES for 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one is CNc1cc(C)c2c(=O)[nH]ccc2c1C.
What is the InChIKey of 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one?
The InChIKey is HKHFLLGQEVXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-6-10(13-3)8(2)9-4-5-14-12(15)11(7)9/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one?
5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one is sourced from PubChem (CID 163616268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).