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Home > Quinoline > 656234-05-8
656234-05-8 | 5-Isoquinolinol, 1-methoxy-4-(2-naphthalenyl)-
CAS No: 656234-05-8 Catalog No: AG006QIT MDL No:
Product Description
Catalog Number:
AG006QIT
Chemical Name:
5-Isoquinolinol, 1-methoxy-4-(2-naphthalenyl)-
CAS Number:
656234-05-8
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
1-methoxy-4-naphthalen-2-ylisoquinolin-5-ol
InChI:
InChI=1S/C20H15NO2/c1-23-20-16-7-4-8-18(22)19(16)17(12-21-20)15-10-9-13-5-2-3-6-14(13)11-15/h2-12,22H,1H3
InChI Key:
VNTQWLNDTWLBMB-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1cccc2O)c1ccc2c(c1)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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