Cas no 16880-59-4 (2-Chloro-n-isoquinolin-5-yl-acetamide)
16880-59-4 structure
Product Name:2-Chloro-n-isoquinolin-5-yl-acetamide
CAS No:16880-59-4
MF:C11H9ClN2O
MW:220.65496134758
CID:2168320
PubChem ID:22247828
Update Time:2025-04-21
2-Chloro-n-isoquinolin-5-yl-acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-n-isoquinolin-5-yl-acetamide
- SCHEMBL6030168
- 16880-59-4
- DB-227994
- 16880-60-7
- 2-Chloro-N-isoquinolin-5-ylacetamide
- 3-Chloro-N-isoquinolin-5-yl-propionaMide, 98+per cent C12H11ClN2O, MW: 234.69
- DTXSID80623832
- 2-Chloro-N-(isoquinolin-5-yl)acetamide
- AKOS009892961
-
- MDL： MFCD08752700
- Inchi： 1S/C11H9ClN2O/c12-6-11(15)14-10-3-1-2-8-7-13-5-4-9(8)10/h1-5,7H,6H2,(H,14,15)
- InChI Key： UZTWFIXSSGOWBG-UHFFFAOYSA-N
- SMILES： ClCC(NC1=CC=CC2C=NC=CC1=2)=O
Computed Properties
- Exact Mass: 220.0403406Da
- Monoisotopic Mass: 220.0403406Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 1.9
- Topological Polar Surface Area: 42?2
2-Chloro-n-isoquinolin-5-yl-acetamide Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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