Название: 3-(2-aminoethyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one;hydrochloride

SMILES: CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CCN.Cl

Molecular Processing

Molecular formula

C19H21ClN2O2

Molecular weight

344.84

Exact mass

344.1292

XLogP

3.14

TPSA

57.25

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.211

Molar refractivity

101.18

Supplementary Information

InChIKey: IXQHLWYUQWKRGR-UHFFFAOYSA-N

Синонимы

SCHEMBL2901589IXQHLWYUQWKRGR-UHFFFAOYSA-N3-(2-aminoethyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one hydrochloride