55610-02-1 (头花千金藤二酮B,1,2-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5(6H)-dione)

CAS号:
55610-02-1
中文名称:
头花千金藤二酮B
英文名称:
1,2-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5(6H)-dione
分子式:
C19H15NO4
分子量:
321.326705217361

头花千金藤二酮B(55610-02-1)名称与标识符

名称

中文别名:
1,2-二甲氧基-6-甲基-4H-二苯并[de,g]喹啉-4,5(6h)-二酮;头花千金藤二酮B;
英文别名:
1,2-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5(6H)-dione;4H-dibenzo[de,g]quinoline-4,5(6H)-dione, 1,2-dimethoxy-6-methyl-;Cepharadione B;CHEMBL396085;15,16-DIMETHOXY-10-METHYL-10-AZATETRACYCLO(7.7.1.02,7.013,17)HEPTADECA-1(16),2,4,6,8,13(17),14-HEPTAENE-11,12-DIONE;1,2-dimethoxy-6-methyl-4h -dibenzo[ de,g]quinoline-4,5( 6h)-dione;47F7X76GJ6;15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione;FS-8133;4H-DIBENZO(DE,G)QUINOLINE-4,5(6H)-DIONE, 1,2-DIMETHOXY-6-METHYL-;55610-02-1;CHEBI:188963;1,2-Dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5(6H)-dione, 9CI;15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione;DTXSID70204159;1,2-DIMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-4,5-DIONE;AKOS040734745;UNII-47F7X76GJ6;1,2-DIMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-4,5(6H)-DIONE;HY-123898;15,16-DIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE-11,12-DIONE;DB-291022;CS-0086778;DTXCID20126650;15,16-dimethoxy-10-methyl-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione;15,16-dimethoxy-10-methyl-10-azatetracyclo(7.7.1.0^(2,7).0^(13,17))heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione;1,2-Dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline-4,5(6H)-dione, 9ci;

标识符

InChIKey:
AFKGBLKLNRDQFN-UHFFFAOYSA-N
Inchi:
1S/C19H15NO4/c1-20-13-8-10-6-4-5-7-11(10)16-15(13)12(17(21)19(20)22)9-14(23-2)18(16)24-3/h4-9H,1-3H3
SMILES:
O(C)C1C(=CC2C(C(N(C)C3=CC4C=CC=CC=4C=1C3=2)=O)=O)OC

头花千金藤二酮B(55610-02-1)物化性质

实验特性

  • PSA : 55.84
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 321.10015
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 321.10010796g/mol
  • 重原子数量 : 24
  • 复杂度 : 536
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.3
  • 拓扑分子极性表面积 : 55.8Ų