Cas no 50593-70-9 (3-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester)
50593-70-9 structure
Product Name:3-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester
CAS No:50593-70-9
MF:C13H12ClNO2
MW:249.692882537842
CID:1568130
PubChem ID:10538604
Update Time:2025-04-21
3-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester
- ETHYL 4-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLATE
- DB-264987
- ethyl 4-chloro-2-methylquinolin-3-carboxylate
- Ethyl 4-chloro-2-methyl-quinoline-3-carboxylate
- 50593-70-9
- SCHEMBL1468948
- DTXSID001188158
- UASKCSYIRXPZPX-UHFFFAOYSA-N
- AB50482
-
- Inchi： 1S/C13H12ClNO2/c1-3-17-13(16)11-8(2)15-10-7-5-4-6-9(10)12(11)14/h4-7H,3H2,1-2H3
- InChI Key： UASKCSYIRXPZPX-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)OCC)=C(C)N=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 249.05576
- Monoisotopic Mass: 249.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 3.4
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
3-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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