Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

HCID 5282569

基本情報

標準SMILES
CCOC(=O)c1c(C(O)c2ccnc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey
VNOAVTKQQVMBJH-UHFFFAOYSA-N
分子式
C24H25N3O5S
平均分子量
467.5 g/mol
単同位体質量
467.15149208

名称と識別子

優先名称
Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
IUPAC
ethyl 6-[hydroxy(quinolin-4-yl)methyl]-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

名称と別名

Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL4804329VNOAVTKQQVMBJH-UHFFFAOYSA-NEthyl 1,2,3,4-tetrahydro-6-(hydroxy 4-quinolinyl-methyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateEthyl 1,2,3,4-tetrahydro-6[hydroxy (4-quinolinyl)methyl]-3-methyl-1-(isobutyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

データベース識別子

PubChem CID
5282569

物性

構造計算による物性

XLogP
3.5
極性表面積
128 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
7
重原子数
33

関連反応

3 件

関連ノート

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