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114622-04-7

114622-04-7 | 9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one

CAS No: 114622-04-7 Catalog No: AG000EUP MDL No:

Product Description

Catalog Number:
AG000EUP
Chemical Name:
9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one
CAS Number:
114622-04-7
Molecular Formula:
C18H11N3O
Molecular Weight:
285.2994
IUPAC Name:
2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one
InChI:
InChI=1S/C18H9N3O/c22-18-12-5-3-8-19-15(12)16-14-11(7-9-20-16)10-4-1-2-6-13(10)21-17(14)18/h1-9H
InChI Key:
BTAIBIXHXSXUFN-UHFFFAOYSA-N
SMILES:
O=C1c2cccnc2c2c3c1nc1ccccc1c3ccn2
UNII:
855096HP36
NSC Number:
675670

Properties

Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.075g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.29g/mol
Monoisotopic Mass:
283.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Synthesis and antimycobacterial activity of analogues of the bioactive natural products sampangine and cleistopholine. European journal of medicinal chemistry 20130901
Total synthesis of ascididemin via anionic cascade ring closure. Chemical communications (Cambridge, England) 20120918
Synthesis and in vitro antitumor activity of ring C and D-substituted phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine. Bioorganic & medicinal chemistry 20040801
Synthesis and in vitro antitumor activity of an isomer of the marine pyridoacridine alkaloid ascididemin and related compounds. Bioorganic & medicinal chemistry 20031001
Synthesis and in vitro antitumor activity of phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine: structure-activity relationship. Journal of medicinal chemistry 20030731
Mechanism of ascididemin-induced cytotoxicity. Chemical research in toxicology 20030201
Synthesis and in vitro antitumor activity of novel ring D analogues of the marine pyridoacridine ascididemin: structure-activity relationship. Journal of medicinal chemistry 20020815

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