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89928-91-6 | Pyrrolidine, 1-[(1-methoxy-4-methyl-3-isoquinolinyl)carbonyl]-
CAS No: 89928-91-6 Catalog No: AG006OAC MDL No:
Product Description
Catalog Number:
AG006OAC
Chemical Name:
Pyrrolidine, 1-[(1-methoxy-4-methyl-3-isoquinolinyl)carbonyl]-
CAS Number:
89928-91-6
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
(1-methoxy-4-methylisoquinolin-3-yl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C16H18N2O2/c1-11-12-7-3-4-8-13(12)15(20-2)17-14(11)16(19)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3
InChI Key:
WQISOFAEUHCQQS-UHFFFAOYSA-N
SMILES:
COc1nc(C(=O)N2CCCC2)c(c2c1cccc2)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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