Cas no 20186-99-6 (2-(diethylamino)quinazolin-4(1H)-one)
20186-99-6 structure
Product Name:2-(diethylamino)quinazolin-4(1H)-one
CAS No:20186-99-6
MF:C12H15N3O
MW:217.267002344131
CID:909200
PubChem ID:135440561
Update Time:2025-04-19
2-(diethylamino)quinazolin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 2-(diethylamino)quinazolin-4(1H)-one
- 2-(diethylamino)-1H-quinazolin-4-one
- 20186-99-6
- NSC403391
- NSC-403391
- DTXSID00323226
-
- Inchi： 1S/C12H15N3O/c1-3-15(4-2)12-13-10-8-6-5-7-9(10)11(16)14-12/h5-8H,3-4H2,1-2H3,(H,13,14,16)
- InChI Key： KMTVAGRTDMADBO-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2N=C(N1)N(CC)CC
Computed Properties
- Exact Mass: 217.12165
- Monoisotopic Mass: 217.121512110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 297
- 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: 1.4
- Topological Polar Surface Area: 44.7?2
Experimental Properties
- PSA: 44.7
2-(diethylamino)quinazolin-4(1H)-one Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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