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851629-68-0

851629-68-0 | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)quinolin-2-ol

CAS No: 851629-68-0 Catalog No: AG00J77T MDL No:MFCD06383613

Product Description

Catalog Number:
AG00J77T
Chemical Name:
4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)quinolin-2-ol
CAS Number:
851629-68-0
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
MDL Number:
MFCD06383613
IUPAC Name:
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
InChI:
InChI=1S/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22)
InChI Key:
KGWYGCXSNITOFT-UHFFFAOYSA-N
SMILES:
Oc1nc2ccccc2c(c1)C(=O)N1CCc2c(C1)cccc2

Properties

Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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