Cas no 607352-58-9 (1(2H)-Isoquinolinone, 8-hydroxy-6-methoxy-3-pentyl-)
607352-58-9 structure
Product Name:1(2H)-Isoquinolinone, 8-hydroxy-6-methoxy-3-pentyl-
CAS No:607352-58-9
MF:C15H19NO3
MW:261.316264390945
CID:4062405
PubChem ID:11807459
Update Time:2025-04-22
1(2H)-Isoquinolinone, 8-hydroxy-6-methoxy-3-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Isoquinolinone, 8-hydroxy-6-methoxy-3-pentyl-
- SCHEMBL3626047
- ruprechstyril
- 607352-58-9
- 8-hydroxy-6-methoxy-3-pentyl-2H-isoquinolin-1-one
- CHEMBL500304
-
- Inchi： 1S/C15H19NO3/c1-3-4-5-6-11-7-10-8-12(19-2)9-13(17)14(10)15(18)16-11/h7-9,17H,3-6H2,1-2H3,(H,16,18)
- InChI Key： BRJKVEZOBBRQDJ-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C=C(OC)C=C2O)C=C(CCCCC)N1
Computed Properties
- Exact Mass: 261.13649347Da
- Monoisotopic Mass: 261.13649347Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.54
- Topological Polar Surface Area: 58.6?2
1(2H)-Isoquinolinone, 8-hydroxy-6-methoxy-3-pentyl- Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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2. Agricultural
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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