Cas no 6187-27-5 (Acetamide, N-3-isoquinolinyl-)
Acetamide, N-3-isoquinolinyl- structure
Product Name:Acetamide, N-3-isoquinolinyl-
CAS No:6187-27-5
MF:C11H10N2O
MW:186.20990228653
CID:464066
PubChem ID:12366594
Update Time:2025-04-19
Acetamide, N-3-isoquinolinyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-3-isoquinolinyl-
- N-isoquinolin-3-ylacetamide
- SCHEMBL2319091
- 6187-27-5
- SYXIVIPLMNLWKL-UHFFFAOYSA-N
- 3-acetylaminoisoquinoline
- N-(isoquinolin-3-yl)acetamide
- DTXSID90494535
- N-3-isoquinolinylacetamide
-
- Inchi： 1S/C11H10N2O/c1-8(14)13-11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3,(H,12,13,14)
- InChI Key： SYXIVIPLMNLWKL-UHFFFAOYSA-N
- SMILES： O=C(C)NC1C=C2C=CC=CC2=CN=1
Computed Properties
- Exact Mass: 186.0794
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 1.6
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
Acetamide, N-3-isoquinolinyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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