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89042-68-2 | 2,5-Pyrrolidinedione, 1-[2-(6,7-dimethoxy-1-isoquinolinyl)ethyl]-
CAS No: 89042-68-2 Catalog No: AG00423O MDL No:
Product Description
Catalog Number:
AG00423O
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(6,7-dimethoxy-1-isoquinolinyl)ethyl]-
CAS Number:
89042-68-2
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
IUPAC Name:
1-[2-(6,7-dimethoxyisoquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C17H18N2O4/c1-22-14-9-11-5-7-18-13(12(11)10-15(14)23-2)6-8-19-16(20)3-4-17(19)21/h5,7,9-10H,3-4,6,8H2,1-2H3
InChI Key:
MONCBPSGAXGNSG-UHFFFAOYSA-N
SMILES:
COc1cc2c(CCN3C(=O)CCC3=O)nccc2cc1OC
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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