4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one

C12H14N2O — CID 118101308

IUPAC4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one
SMILESCc1ccc2c(CN)c(=O)[nH]c(C)c2c1
InChIInChI=1S/C12H14N2O/c1-7-3-4-9-10(5-7)8(2)14-12(15)11(9)6-13/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyGVKHVAWLINOGAN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.60
Rot. Bonds1

About 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one

4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one (PubChem CID 118101308) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one
PubChem CID118101308
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one
SMILESCc1ccc2c(CN)c(=O)[nH]c(C)c2c1
InChIInChI=1S/C12H14N2O/c1-7-3-4-9-10(5-7)8(2)14-12(15)11(9)6-13/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyGVKHVAWLINOGAN-UHFFFAOYSA-N
XLogP1.60
TPSA58.88 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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-Dimethylisoquinolin-3-ol
CID 3238513
1,6-Dimethylisoquinolin-3-ol
CID 3240963
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
1-Methylisoquinolin-3-ol
CID 3242031
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
1,2,5,6,7,8-Hexahydro-1,6-naphthyridin-2-one hydrochloride
CID 66523912
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
2-Oxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carboxamide
CID 91623838
8,8-Dimethyl-1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one hydrochloride
CID 155858877
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
2-Hydroxy-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008524
3-(Aminomethyl)-1,2,5,6,7,8-hexahydroquinolin-2-one
CID 50989747

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one?
The IUPAC name of 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one (CID 118101308) is 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one.
What is the SMILES notation for 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one?
The canonical SMILES for 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one is Cc1ccc2c(CN)c(=O)[nH]c(C)c2c1.
What is the InChIKey of 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one?
The InChIKey is GVKHVAWLINOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-3-4-9-10(5-7)8(2)14-12(15)11(9)6-13/h3-5H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one?
4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one is sourced from PubChem (CID 118101308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).