Cas no 13481-47-5 (1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)-)
13481-47-5 structure
Product Name:1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)-
CAS No:13481-47-5
MF:C18H12N2O
MW:272.30068397522
CID:96709
PubChem ID:12135483
Update Time:2025-04-18
1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)-
- 3-quinolin-2-ylmethylene-2,3-dihydro-isoindol-1-one
- 3-(2-Quinolylmethylene)phthalimidine
- SCHEMBL903152
- (3Z)-3-(quinolin-2-ylmethylidene)isoindol-1-one
- 13481-47-5
-
- Inchi： 1S/C18H12N2O/c21-18-15-7-3-2-6-14(15)17(20-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H,(H,20,21)/b17-11-
- InChI Key： JMPMXZYKZRDYCH-BOPFTXTBSA-N
- SMILES： O=C1C2C=CC=CC=2/C(=C/C2C=CC3C=CC=CC=3N=2)/N1
Computed Properties
- Exact Mass: 272.09506
- Monoisotopic Mass: 272.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 445
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 42?2
Experimental Properties
- Density: 1.320
- PSA: 41.99
1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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