7-[(dimethylamino)methyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-ol

• ChemBase编号: 123583
• 分子式: C15H22N2O
• 平均质量: 246.34798
• 单一同位素质量: 246.17321333
• SMILES: c12c(C(=CC(N1)(C)C)C)cc(c(c2)CN(C)C)O
• Canonical SMILES: CN(Cc1cc2NC(C)(C)C=C(c2cc1O)C)C
• InChI: InChI=1S/C15H22N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-8,16,18H,9H2,1-5H3
• InChIKey: HHMUJCRASAIBQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-ol
• IUPAC传统名: 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol
• 别名: 7-((dimethylamino)methyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-ol

登记号

• PubChem SID: 162217936
• PubChem CID: 2835209

理论计算性质

• Acid pKa: 8.7748995
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.907731
• LogD (pH = 7.4): 0.70568657
• Log P: 1.8478621
• 摩尔折射率: 78.9876 cm^3
• 极化性: 29.289114 Å^3
• 极化表面积: 35.5 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: Derivatives & analogs of Natural Compounds