Cas no 590376-55-9 (Methyl 2,8-dimethylquinoline-4-carboxylate)
590376-55-9 structure
Product Name:Methyl 2,8-dimethylquinoline-4-carboxylate
CAS No:590376-55-9
MF:C13H13NO2
MW:215.247823476791
CID:1021463
Update Time:2023-08-02
Methyl 2,8-dimethylquinoline-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarboxylicacid,2,8-dimethyl-,methylester(9CI)
- METHYL 2,8-DIMETHYL-4-QUINOLINECARBOXYLATE
- methyl 2,8-dimethylquinoline-4-carboxylate
- CTK5A9268
- MolPort-001-577-326
- STK441252
- ST50845746
- 4-quinolinecarboxylic acid,2,8-dimethyl-,methyl ester
- Methyl 2,8-dimethylquinoline-4-carboxylate
-
- Inchi： 1S/C13H13NO2/c1-8-5-4-6-10-11(13(15)16-3)7-9(2)14-12(8)10/h4-7H,1-3H3
- InChI Key： WDZVLUXSSCASEF-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C)N=C2C(C)=CC=CC2=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 267
- Topological Polar Surface Area: 39.2
Methyl 2,8-dimethylquinoline-4-carboxylate Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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