CCOC(=O)C1=CN=C(C2=C1C=C(C=C2OC)OC)CNC(=O)OC(C)(C)C
Name: ethyl 6,8-dimethoxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]isoquinoline-4-carboxylate
SMILES: CCOC(=O)C1=CN=C(C2=C1C=C(C=C2OC)OC)CNC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C20H26N2O6
Molecular weight
390.44
Exact mass
390.1791
XLogP
3.45
TPSA
95.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
103.88

Supplementary Information

InChIKey: ZHXIMINSRYBCDI-UHFFFAOYSA-N
Synonyms
SCHEMBL3362101ZHXIMINSRYBCDI-UHFFFAOYSA-N1-(tert-butoxycarbonylamino-methyl)-6,8-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester
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Involved in 2 reactions→

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