N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

HCID 21890146

基本情報

標準SMILES: CCN(CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C)c1cccc(C)c1
InChIKey: WMVFQRWEMBKSMO-UHFFFAOYSA-N
分子式: C31H36N4O4
平均分子量: 528.6 g/mol
単同位体質量: 528.27365564

名称と識別子

優先名称: N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea
IUPAC: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

名称と別名

SCHEMBL5825425WMVFQRWEMBKSMO-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]-ureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

データベース識別子

PubChem CID: 21890146

物性

構造計算による物性

XLogP: 5.9
極性表面積: 85 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 10
重原子数: 39
形式電荷: 0
複雑度: 756