345264-02-0 (2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯,methyl 2-(1-azatricyclo[6.3.1.0?12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxo-acetate)

CAS号:
345264-02-0
中文名称:
2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯
英文名称:
methyl 2-(1-azatricyclo[6.3.1.0?12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxo-acetate
分子式:
C14H13NO3
分子量:
243.257923841476

2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯(345264-02-0)名称与标识符

名称

中文别名:
2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯;methyl 2-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-oxoacetate;
英文别名:
Methyl 2-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-oxoacetate;Methyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl(oxo)acetate;(5,6-dihydro-4H-pyrrolo-[3,2,1-ij]-quinolin-1-yl)-carboxylic acid;(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-oxo-acetic acid methyl ester;2-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxoacetic acid methyl ester;methyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl-oxoacetate;(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-oxoacetic acid methyl ester;ALUMSXHHLXAQTD-UHFFFAOYSA-N;3818AH;SB15036;(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)Oxoacetic Acid Methyl Ester;(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-o;methyl 2-(1-azatricyclo[6.3.1.0?12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxo-acetate;

标识符

MDL:
MFCD16876156
InChIKey:
ALUMSXHHLXAQTD-UHFFFAOYSA-N
Inchi:
1S/C14H13NO3/c1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15/h2,4,6,8H,3,5,7H2,1H3
SMILES:
O=C(C(=O)OC)C1=CN2CCCC3C=CC=C1C2=3

2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯(345264-02-0)物化性质

实验特性

  • LogP : 1.94320
  • PSA : 48.30000

计算特性

  • 精确分子量 : 243.09000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 重原子数量 : 18
  • 复杂度 : 368
  • 拓扑分子极性表面积 : 48.3

2-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-2-氧代乙酸甲酯(345264-02-0)安全信息

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