Cas no 649727-10-6 (1H-Pyrrole-3-carboxylic acid, 1-(5-quinolinyl)-, methyl ester)
649727-10-6 structure
Product Name:1H-Pyrrole-3-carboxylic acid, 1-(5-quinolinyl)-, methyl ester
CAS No:649727-10-6
MF:C15H12N2O2
MW:252.267983436584
CID:410511
PubChem ID:127262546
Update Time:2025-04-19
1H-Pyrrole-3-carboxylic acid, 1-(5-quinolinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxylic acid, 1-(5-quinolinyl)-, methyl ester
- methyl 1-quinolin-5-ylpyrrole-3-carboxylate
- Quinolin-5-ylmethyl 1H-pyrrole-3-carboxylate
- 649727-10-6
-
- Inchi： 1S/C15H12N2O2/c18-15(11-6-8-16-9-11)19-10-12-3-1-5-14-13(12)4-2-7-17-14/h1-9,16H,10H2
- InChI Key： ZQONJKGDNLXDCH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CNC=1)=O)CC1=CC=CC2C1=CC=CN=2
Computed Properties
- Exact Mass: 252.08996
- Monoisotopic Mass: 252.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- 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: 2.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 44.12
1H-Pyrrole-3-carboxylic acid, 1-(5-quinolinyl)-, methyl ester Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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