N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453261CAS 132686-80-7

基本情報

標準SMILES: CN1C(=O)c2cccnc2N(CCO)c2ccccc21
InChIKey: WMKDCDDFJCFMMJ-UHFFFAOYSA-N
分子式: C15H15N3O2
平均分子量: 269.3 g/mol
単同位体質量: 269.11642673

名称と識別子

優先名称: N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 11-(2-hydroxyethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

名称と別名

132686-80-7N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL308491SCHEMBL8790036DTXSID90157698WMKDCDDFJCFMMJ-UHFFFAOYSA-N6,11-Dihydro-11-(2-hydroxyethyl)-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-(2-hydroxyethyl)-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-(2-Hydroxyethyl)-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

データベース識別子

CAS: 132686-80-7
PubChem CID: 453261
DTXSID: DTXSID90157698
ChEMBL: CHEMBL308491
Nikkaji: J420.529D

物性

構造計算による物性

XLogP: 1.3
極性表面積: 56.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 363