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651029-63-9 | 1(2H)-Isoquinolinone, 5-hydroxy-4-[3-(1-pyrrolidinylmethyl)phenyl]-
CAS No: 651029-63-9 Catalog No: AG006SM5 MDL No:
Product Description
Catalog Number:
AG006SM5
Chemical Name:
1(2H)-Isoquinolinone, 5-hydroxy-4-[3-(1-pyrrolidinylmethyl)phenyl]-
CAS Number:
651029-63-9
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
5-hydroxy-4-[3-(pyrrolidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
InChI:
InChI=1S/C20H20N2O2/c23-18-8-4-7-16-19(18)17(12-21-20(16)24)15-6-3-5-14(11-15)13-22-9-1-2-10-22/h3-8,11-12,23H,1-2,9-10,13H2,(H,21,24)
InChI Key:
OYLAHMDBAOXMRB-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(c[nH]c2=O)c1cccc(c1)CN1CCCC1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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