3-Phenyl-2,4(1H,3H)-quinazolinedione 2-羟基-3-苯基-3,4-二氢喹唑啉-4-酮

CAS 603-23-6 MFCD00023890

化学结构图

603-23-6
SMILES: O=c1[nH]c2ccccc2c(=O)n1-c1ccccc1

化学属性

Mol. FormulaC14H10N2O2
Mol. Weight238.24
Melting Point281-283 °C

别名和识别编码

Chemical Name3-Phenyl-2,4(1H,3H)-quinazolinedione
CAS Number603-23-6
Alfabeta NamePHENYLQUINAZOLINEDIONE HH32413()---,,
MDL NumberMFCD00023890
Synonym 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-phenyl-3,4-dihydroquinazolin
Chemical Name Translation2-羟基-3-苯基-3,4-二氢喹唑啉-4-酮
InChIKeyBHQNJNLXFVJFFI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00149455
PubChem Substance ID242637
InChIInChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
Canonical SMILESO=C1C2=CC=CC=C2NC(=O)N1C3=CC=CC=C3
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; urea; amide; lactame; 1fragment
  • {KO} Misc

相关文献及参考

  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefComment: XXII, 634 pages. Hardcover Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.

安全信息

Warnings IRRITANT
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
1
LogP
2

系列性分类

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