Cas no 5632-36-0 (2,3-dihydro-4(1H)-quinazolinone)
5632-36-0 structure
Product Name:2,3-dihydro-4(1H)-quinazolinone
CAS No:5632-36-0
MF:C8H8N2O
MW:148.16192150116
CID:2151015
PubChem ID:15926139
Update Time:2025-04-21
2,3-dihydro-4(1H)-quinazolinone Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dihydro-4(1H)-quinazolinone
- SCHEMBL15650452
- AKOS006351701
- SCHEMBL106149
- DB-346433
- 2,3-dihydroquinazolin-4(1h)-one
- 5632-36-0
- SCHEMBL15650223
-
- Inchi： 1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-4,9H,5H2,(H,10,11)
- InChI Key： XWWYZFUBBJHKSP-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2NCN1
Computed Properties
- Exact Mass: 148.063662883Da
- Monoisotopic Mass: 148.063662883Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 169
- 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: 1.1
- Topological Polar Surface Area: 41.1?2
2,3-dihydro-4(1H)-quinazolinone Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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