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6964-62-1 | 8-Quinolinol,2-methyl-7-[phenyl(phenylamino)methyl]-
CAS No: 6964-62-1 Catalog No: AG005JWF MDL No:MFCD08823776
Product Description
Catalog Number:
AG005JWF
Chemical Name:
8-Quinolinol,2-methyl-7-[phenyl(phenylamino)methyl]-
CAS Number:
6964-62-1
Molecular Formula:
C23H20N2O
Molecular Weight:
340.4177
MDL Number:
MFCD08823776
IUPAC Name:
7-[anilino(phenyl)methyl]-2-methylquinolin-8-ol
InChI:
InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
InChI Key:
WEENRMPCSWFMTE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(O)c(cc2)C(c1ccccc1)Nc1ccccc1
NSC Number:
66811
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.426g/mol
Monoisotopic Mass:
340.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. | Journal of medicinal chemistry 20060629 |
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