N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide

HCID 9849068

基本情報

標準SMILES: CN(Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1ccc(O)cc1
InChIKey: PCPWWLCZBAEZNJ-UHFFFAOYSA-N
分子式: C28H28ClN3O4
平均分子量: 506 g/mol

名称と識別子

優先名称: N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide
IUPAC: N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]-1-methyl-4-oxoquinoline-3-carboxamide

名称と別名

SCHEMBL6694475PCPWWLCZBAEZNJ-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]methylamino]methyl]-1-methyl-4-oxo-N-(4-Chlorobenzyl)-6-([(2-hydroxy-2-[4-hydroxyphenyl]-ethyl) [methyl]amino]methyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide

データベース識別子

PubChem CID: 9849068

物性

構造計算による物性

XLogP: 4.2
極性表面積: 93.1 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 36
形式電荷: 0
複雑度: 792