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921213-21-0 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(1-pyrrolidinylmethyl)-
CAS No: 921213-21-0 Catalog No: AG00664Q MDL No:
Product Description
Catalog Number:
AG00664Q
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(1-pyrrolidinylmethyl)-
CAS Number:
921213-21-0
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C16H22N2O2/c1-19-15-9-12-5-6-17-14(11-18-7-3-4-8-18)13(12)10-16(15)20-2/h9-10H,3-8,11H2,1-2H3
InChI Key:
MZRCDDHRHQQTQD-UHFFFAOYSA-N
SMILES:
COc1cc2C(=NCCc2cc1OC)CN1CCCC1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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