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89721-37-9 | Isoquinoline, 1-(2-methylphenyl)-3-(3-pyrrolidinyloxy)-
CAS No: 89721-37-9 Catalog No: AG0042GA MDL No:
Product Description
Catalog Number:
AG0042GA
Chemical Name:
Isoquinoline, 1-(2-methylphenyl)-3-(3-pyrrolidinyloxy)-
CAS Number:
89721-37-9
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
1-(2-methylphenyl)-3-pyrrolidin-3-yloxyisoquinoline
InChI:
InChI=1S/C20H20N2O/c1-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)12-19(22-20)23-16-10-11-21-13-16/h2-9,12,16,21H,10-11,13H2,1H3
InChI Key:
IQMRKAHSTGDPHQ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nc(OC2CNCC2)cc2c1cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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