Cas no 531503-97-6 (2,4(1H,3H)-Quinazolinedione, 3-(3,4-dimethoxyphenyl)-)
531503-97-6 structure
Product Name:2,4(1H,3H)-Quinazolinedione, 3-(3,4-dimethoxyphenyl)-
CAS No:531503-97-6
MF:C16H14N2O4
MW:298.293364048004
CID:357919
PubChem ID:6619171
Update Time:2025-04-19
2,4(1H,3H)-Quinazolinedione, 3-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Quinazolinedione, 3-(3,4-dimethoxyphenyl)-
- 3-(3,4-dimethoxyphenyl)-1H-quinazoline-2,4-dione
- DTXSID40425076
- SR-01000121110
- 531503-97-6
- IDI1_004583
- ChemDiv2_005868
- SR-01000121110-1
- 3-(3,4-Dimethoxyphenyl)quinazoline-2,4(1H,3H)-dione
- AKOS025149973
- 3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
- HMS1385K16
-
- Inchi： 1S/C16H14N2O4/c1-21-13-8-7-10(9-14(13)22-2)18-15(19)11-5-3-4-6-12(11)17-16(18)20/h3-9H,1-2H3,(H,17,20)
- InChI Key： OBHHEJLBKZGQAJ-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=CC(=C1)N1C(NC2C=CC=CC=2C1=O)=O)OC
Computed Properties
- Exact Mass: 298.09542
- Monoisotopic Mass: 298.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 442
- 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: 2.1
- Topological Polar Surface Area: 67.9?2
Experimental Properties
- PSA: 67.87
2,4(1H,3H)-Quinazolinedione, 3-(3,4-dimethoxyphenyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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