Cas no 54885-02-8 (Methanone, phenyl-6-quinolinyl-)
54885-02-8 structure
Product Name:Methanone, phenyl-6-quinolinyl-
CAS No:54885-02-8
MF:C16H11NO
MW:233.264643907547
CID:1593849
PubChem ID:10466511
Update Time:2025-04-21
Methanone, phenyl-6-quinolinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, phenyl-6-quinolinyl-
- 6-Benzoylquinoline
- DB-317955
- 54885-02-8
- AKOS012145659
- CHEMBL136616
-
- Inchi: 1S/C16H11NO/c18-16(12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-17-15/h1-11H
- InChI Key: AVPITPOWAVYARW-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)C1C=CC2C(=CC=CN=2)C=1
Computed Properties
- Exact Mass: 233.08413
- Monoisotopic Mass: 233.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 296
- 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: 3.2
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
Methanone, phenyl-6-quinolinyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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