(1E)-1-(dimethylhydrazin-1-ylidene)-6-ethyl-3,3-dimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline

• ChemBase编号: 184891
• 分子式: C21H26N4
• 平均质量: 334.45794
• 单一同位素质量: 334.21574685
• SMILES: c12c3/C(=N/N(C)C)/CC(Cc3nc(c1c1c([nH]2)cccc1)CC)(C)C
• Canonical SMILES: CCc1nc2CC(C)(C)C/C(=N\N(C)C)/c2c2c1c1ccccc1[nH]2
• InChI: InChI=1S/C21H26N4/c1-6-14-18-13-9-7-8-10-15(13)23-20(18)19-16(22-14)11-21(2,3)12-17(19)24-25(4)5/h7-10,23H,6,11-12H2,1-5H3/b24-17+
• InChIKey: NJJWWNAZERCYSC-JJIBRWJFSA-N

名称和登记号

名称

• IUPAC标准名: (1E)-1-(dimethylhydrazin-1-ylidene)-6-ethyl-3,3-dimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline
• IUPAC传统名: (1E)-1-(dimethylhydrazin-1-ylidene)-6-ethyl-3,3-dimethyl-2H,4H,11H-indolo[3,2-c]quinoline

登记号

• PubChem SID: 164240801
• PubChem CID: 5420898

理论计算性质

• Acid pKa: 12.398333
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.622198
• LogD (pH = 7.4): 2.9057562
• Log P: 3.3559363
• 摩尔折射率: 102.5528 cm^3
• 极化性: 41.95466 Å^3
• 极化表面积: 44.28 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds