Cas no 69707-18-2 (ethyl imidazo[2,1-a]isoquinoline-2-carboxylate)
![ethyl imidazo[2,1-a]isoquinoline-2-carboxylate structure](https://ossimg.kuujia.com/scimg/70000/69707-18-2x500.png)
69707-18-2 structure
Product Name:ethyl imidazo[2,1-a]isoquinoline-2-carboxylate
CAS No:69707-18-2
MF:C14H12N2O2
MW:240.257283210754
CID:974045
PubChem ID:296201
Update Time:2025-04-19
ethyl imidazo[2,1-a]isoquinoline-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl imidazo[2,1-a]isoquinoline-2-carboxylate
- Imidazo[2,1-a]isoquinoline-2-carboxylic acid ethyl ester
- AC1L6PS9
- AG-G-71662
- CTK5D1009
- NSC166104
- NSC-166104
- DTXSID40304514
- Imidazo[2, ethyl ester
- 69707-18-2
-
- Inchi： 1S/C14H12N2O2/c1-2-18-14(17)12-9-16-8-7-10-5-3-4-6-11(10)13(16)15-12/h3-9H,2H2,1H3
- InChI Key： SJPJZLTUCNZIHN-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN2C=CC3C=CC=CC=3C2=N1)=O
Computed Properties
- Exact Mass: 240.08996
- Monoisotopic Mass: 240.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 321
- 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: 3.6
- Topological Polar Surface Area: 43.6?2
Experimental Properties
- PSA: 43.6
ethyl imidazo[2,1-a]isoquinoline-2-carboxylate Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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