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827030-94-4 | 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-
CAS No: 827030-94-4 Catalog No: AG0051NQ MDL No:
Product Description
Catalog Number:
AG0051NQ
Chemical Name:
1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-
CAS Number:
827030-94-4
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
N-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
InChI:
InChI=1S/C17H16N2O/c1-19(14-7-9-15(20-2)10-8-14)17-16-6-4-3-5-13(16)11-12-18-17/h3-12H,1-2H3
InChI Key:
XKYHYVYGGIKRPR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1nccc2c1cccc2)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Discovery of N-methyl-4-(4-methoxyanilino)quinazolines as potent apoptosis inducers. Structure-activity relationship of the quinazoline ring. | Bioorganic & medicinal chemistry letters 20100401 |
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