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1222800-79-4

1222800-79-4 | Benzamide, N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolinyl)-

CAS No: 1222800-79-4 Catalog No: AG00171Q MDL No:MFCD28053518

Product Description

Catalog Number:
AG00171Q
Chemical Name:
Benzamide, N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolinyl)-
CAS Number:
1222800-79-4
Molecular Formula:
C21H23N3O2
Molecular Weight:
349.4262
MDL Number:
MFCD28053518
IUPAC Name:
N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
InChI:
InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
InChI Key:
QDBVSOZTVKXUES-UHFFFAOYSA-N
SMILES:
CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C

Properties

Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.179g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
349.434g/mol
Monoisotopic Mass:
349.179g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Reversal of histone lysine trimethylation by the JMJD2 family of histone demethylases. Cell 20060505

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