Cas no 1769-25-1 (2,3-Dimethyl-3H-quinazolin-4-one)
1769-25-1 structure
Product Name:2,3-Dimethyl-3H-quinazolin-4-one
2,3-Dimethyl-3H-quinazolin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Dimethyl-3H-quinazolin-4-one
- 2,3-dimethylquinazolin-4-one
- 2,3-Dimethyl-4(3H)-quinazolinone
- 4-Quinazolone, 2,3-dimethyl
- Dimethylquinazolone
- Quinazolin-4(3H)-one, 2,3-dimethyl-
- Quinazolin-4-one, 2,3-dimethyl
- 5-24-03-00127 (Beilstein Handbook Reference)
- 2,3-dimethyl-4-quinazolone
- BRN 0131970
- R735873DLM
- 1769-25-1
- NSC-401262
- NSC 401262
- 2,3-dimethyl-3,4-dihydroquinazolin-4-one
- 2,3-Dimethyl-chinazolinone(4) [German]
- SR-01000453848
- SR-01000453848-1
- 4(3H)-Quinazolinone, 2,3-dimethyl-
- NSC401262
- DTXSID70170209
- AKOS005640560
- 2,3-Dimethyl-chinazolinone(4)
- SCHEMBL1101889
- B 265
- HMS1611I21
- 2,3-dimethylquinazolin-4(3H)-one
- STK993824
-
- Inchi: 1S/C10H10N2O/c1-7-11-9-6-4-3-5-8(9)10(13)12(7)2/h3-6H,1-2H3
- InChI Key: DCKUAHKIBNUXHX-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2N=C(C)N1C
Computed Properties
- Exact Mass: 174.0794
- Monoisotopic Mass: 174.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 260
- 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: 0.6
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
2,3-Dimethyl-3H-quinazolin-4-one Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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