54132-45-5 ((1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-)

CAS号:
54132-45-5
英文名称:
1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
分子式:
C16H20N4O3
分子量:
316.355003356934

1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-(54132-45-5)名称与标识符

名称

英文别名:
1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-;1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-;

标识符

InChIKey:
VKZNRDPELSYJLL-UHFFFAOYSA-N
Inchi:
1S/C16H20N4O3/c1-3-19-10-12(16(22)23)14(21)11-4-5-13(17-15(11)19)20-8-6-18(2)7-9-20/h4-5,10H,3,6-9H2,1-2H3,(H,22,23)
SMILES:
N1(CC)C2C(=CC=C(N3CCN(C)CC3)N=2)C(=O)C(C(O)=O)=C1

1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-(54132-45-5)物化性质

实验特性

  • PSA : 76.98
  • 沸点 : 539.2±50.0 °C(Predicted)
  • 熔点 : 233-235 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
  • 酸度系数(pKa) : 3.36±0.20(Predicted)
  • 密度 : 1.310±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 316.1537