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

HCID 453255CAS 132686-76-1

基本情報

標準SMILES: CCCN1c2ccccc2N(C)C(=O)c2cccnc21
InChIKey: OXERMLHLBWPCON-UHFFFAOYSA-N
分子式: C16H17N3O
平均分子量: 267.33 g/mol
単同位体質量: 267.13716217

名称と識別子

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

名称と別名

132686-76-1N6-Methyl-N11-propyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN6-Methyl-N11-propyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-onePyridobenzodiazepinone deriv. 15BDBM1635CHEMBL308686SCHEMBL8790016DTXSID10157695OXERMLHLBWPCON-UHFFFAOYSA-N6,11-dihydro-6-methyl-11-propyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one6-methyl-11-propyl-pyrido[3,2-c][1,5]benzodiazepin-5-one6-Methyl-11-propyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

名称をさらに表示

10-methyl-2-propyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one

データベース識別子

CAS: 132686-76-1
PubChem CID: 453255
DTXSID: DTXSID10157695
ChEMBL: CHEMBL308686
Nikkaji: J420.525A

物性

構造計算による物性

XLogP: 2.9
極性表面積: 36.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 360