COC1=CC2=C(C(=C1)OC)C(=NC=C2N)CN3C(=O)C4=CC=CC=C4C3=O
Название: 2-[(4-amino-6,8-dimethoxyisoquinolin-1-yl)methyl]isoindole-1,3-dione
SMILES: COC1=CC2=C(C(=C1)OC)C(=NC=C2N)CN3C(=O)C4=CC=CC=C4C3=O

Molecular Processing

Molecular formula
C20H17N3O4
Molecular weight
363.37
Exact mass
363.1219
XLogP
2.63
TPSA
94.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
99.91

Supplementary Information

InChIKey: IRRLNHRXFIAXQN-UHFFFAOYSA-N
Синонимы
SCHEMBL3360890IRRLNHRXFIAXQN-UHFFFAOYSA-N2-(4-amino-6,8-dimethoxy-isoquinolin-1-ylmethyl)-isoindole-1,3-dione
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