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24853-83-6 | Isoquinoline, 3,4-dihydro-1-(phenylmethyl)-
CAS No: 24853-83-6 Catalog No: AG002PNO MDL No:
Product Description
Catalog Number:
AG002PNO
Chemical Name:
Isoquinoline, 3,4-dihydro-1-(phenylmethyl)-
CAS Number:
24853-83-6
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
1-benzyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C16H15N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9H,10-12H2
InChI Key:
BQIIGTSQOCWPDH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=NCCc2c1cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Syntheses and antitumor targeting G1 phase of the cell cycle of benzoyldihydroisoquinolines and related 1-substituted isoquinolines. | Journal of medicinal chemistry 20021107 |
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