CC1=NC=C(C=C1)CCC2=CNC(=O)C3=CC=CC=C32
Name: 4-[2-(6-methyl-3-pyridinyl)ethyl]-2H-isoquinolin-1-one
SMILES: CC1=NC=C(C=C1)CCC2=CNC(=O)C3=CC=CC=C32

Molecular Processing

Molecular formula
C17H16N2O
Molecular weight
264.33
Exact mass
264.1263
XLogP
3.02
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
80.95

Supplementary Information

InChIKey: UUNUXUFYPUGQDF-UHFFFAOYSA-N
Synonyme
SCHEMBL4826181UUNUXUFYPUGQDF-UHFFFAOYSA-N4-[2-(6-methyl-pyridin-3-yl)-ethyl]-2H-isoquinolin-1-one
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