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85223-06-9

85223-06-9 | 3,3'-(1H-ISOINDOLE-1,3(2H)-DIYLIDENE)BISQUINOLINE-2,4(1H,3H)-DIONE

CAS No: 85223-06-9 Catalog No: AG004M5C MDL No:

Product Description

Catalog Number:
AG004M5C
Chemical Name:
3,3'-(1H-ISOINDOLE-1,3(2H)-DIYLIDENE)BISQUINOLINE-2,4(1H,3H)-DIONE
CAS Number:
85223-06-9
Molecular Formula:
C26H15N3O4
Molecular Weight:
433.4150
IUPAC Name:
(3E)-3-[3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)isoindol-1-ylidene]-1H-quinoline-2,4-dione
InChI:
InChI=1S/C26H15N3O4/c30-23-15-9-3-5-11-17(15)27-25(32)19(23)21-13-7-1-2-8-14(13)22(29-21)20-24(31)16-10-4-6-12-18(16)28-26(20)33/h1-12H,(H,27,32)(H2,28,31,33)/b21-19+
InChI Key:
RXVZFAXEJXFEFO-XUTLUUPISA-N
SMILES:
O=C1Nc2ccccc2C(=O)C1=c1[nH]c(=C2C(=O)Nc3c(C2=O)cccc3)c2c1cccc2
EC Number:
286-359-6

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
433.106g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
433.423g/mol
Monoisotopic Mass:
433.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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