N-(8-methoxy-2-methylquinolin-4-yl)-5-(methoxymethyl)furan-2-carboxamide

• ChemBase编号: 220588
• 分子式: C18H18N2O4
• 平均质量: 326.34652
• 单一同位素质量: 326.12665707
• SMILES: c1(c2c(nc(c1)C)c(OC)ccc2)NC(=O)c1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)Nc1cc(C)nc2c1cccc2OC
• InChI: InChI=1S/C18H18N2O4/c1-11-9-14(13-5-4-6-15(23-3)17(13)19-11)20-18(21)16-8-7-12(24-16)10-22-2/h4-9H,10H2,1-3H3,(H,19,20,21)
• InChIKey: UFNKLTJYWWVWQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(8-methoxy-2-methylquinolin-4-yl)-5-(methoxymethyl)furan-2-carboxamide
• IUPAC传统名: N-(8-methoxy-2-methylquinolin-4-yl)-5-(methoxymethyl)furan-2-carboxamide

登记号

• PubChem SID: 164276498
• PubChem CID: 24220819

理论计算性质

• Acid pKa: 9.074936
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.04016
• LogD (pH = 7.4): 2.0426846
• Log P: 2.0525086
• 摩尔折射率: 90.403 cm^3
• 极化性: 35.077442 Å^3
• 极化表面积: 73.59 Å^2
• 可自由旋转的化学键: 5
• 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