Cas no 89391-10-6 (4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl-)
89391-10-6 structure
Product Name:4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl-
CAS No:89391-10-6
MF:C20H16N2O2
MW:316.353244781494
CID:602403
PubChem ID:71323923
Update Time:2025-04-19
4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl-
- 2-(1H-indol-3-yl)-3,6-dimethylquinoline-4-carboxylic acid
- 89391-10-6
- DTXSID90753452
-
- Inchi： 1S/C20H16N2O2/c1-11-7-8-17-14(9-11)18(20(23)24)12(2)19(22-17)15-10-21-16-6-4-3-5-13(15)16/h3-10,21H,1-2H3,(H,23,24)
- InChI Key： RYVDPIDVRSNOHR-UHFFFAOYSA-N
- SMILES： OC(C1C2C=C(C)C=CC=2N=C(C=1C)C1=CNC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 316.121177757g/mol
- Monoisotopic Mass: 316.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 482
- 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: 4.2
- Topological Polar Surface Area: 66?2
4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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