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55423-58-0 | 6,7-Dimethoxy-1'-Methyl-1H-Spiro[Isoquinoline-3,4'-Piperidin]-4(2H)-One
CAS No: 55423-58-0 Catalog No: AG00I9VX MDL No:MFCD28991782
Product Description
Catalog Number:
AG00I9VX
Chemical Name:
6,7-Dimethoxy-1'-Methyl-1H-Spiro[Isoquinoline-3,4'-Piperidin]-4(2H)-One
CAS Number:
55423-58-0
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD28991782
IUPAC Name:
6,7-dimethoxy-1'-methylspiro[1,2-dihydroisoquinoline-3,4'-piperidine]-4-one
InChI:
InChI=1S/C16H22N2O3/c1-18-6-4-16(5-7-18)15(19)12-9-14(21-3)13(20-2)8-11(12)10-17-16/h8-9,17H,4-7,10H2,1-3H3
InChI Key:
HNQVUWSNUQOQCQ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CNC1(C2=O)CCN(CC1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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