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63149-33-7 | 8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde
CAS No: 63149-33-7 Catalog No: AG003NIE MDL No:MFCD00192477
Product Description
Catalog Number:
AG003NIE
Chemical Name:
8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde
CAS Number:
63149-33-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD00192477
IUPAC Name:
6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
InChI Key:
NRZXBDYODHLZBF-UHFFFAOYSA-N
SMILES:
O=Cc1cc2CCCN3c2c(c1O)CCC3
EC Number:
263-966-4
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity. | Journal of medicinal chemistry 20140522 |
| Comparative study of inhibition at multiple stages of amyloid-beta self-assembly provides mechanistic insight. | Molecular pharmacology 20090801 |
| Synthesis and anti-angiogenesis activity of coumarin derivatives. | Bioorganic & medicinal chemistry letters 20060901 |
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