基本情報
- 標準SMILES
O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl- InChIKey
DAFPGIVZPJVMTQ-UHFFFAOYSA-N- 分子式
- C25H16Cl4N2O3
- 平均分子量
- 534.2 g/mol
概要
N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine is an alanine derivative that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3. It is a dichlorobenzene, a member of quinolines and a N-acyl-amino acid. It contains a 2,6-dichlorobenzoyl group.
名称と識別子
- 優先名称
- N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine
- IUPAC
- 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
名称と別名
N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoic acidN-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alanineCHEMBL410249SCHEMBL3313373SCHEMBL83522292,6-quinolinyl derivative, 19BDBM17197CHEBI:48459DAFPGIVZPJVMTQ-UHFFFAOYSA-N2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic AcidQ27121216
名称をさらに表示
2-[(2,6-dichlorophenyl)formamido]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
データベース識別子
- PubChem CID
- 10052832
- ChEMBL
CHEMBL410249- ChEBI
CHEBI:48459
物性
構造計算による物性
- XLogP
- 7.2
- 極性表面積
- 79.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 708
関連反応
7 件
化合物ノート
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