11H-吡啶并[2,1-b]喹唑啉-11-酮 | 578-96-1
中文名称:
11H-吡啶并[2,1-b]喹唑啉-11-酮
英文名称:
11H-Pyrido[2,1-b]quinazolin-11-one
CAS No.:
578-96-1
分子式:
C1 2 H8 N2 O
分子量:
196.20472
名称和标识符
InChIKey
MONJTOUXCWKOFS-UHFFFAOYSA-N
Inchi
InChI=1S/C12H8N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-8H
SMILES
C1=CC=C2C(=C1)C(=O)N3C=CC=CC3=N2
别名信息
- 英文别名 -
11H-Pyrido[2,1-b]quinazolin-11-one
pyrido[2,1-b]quinazolin-11-one
11H-Pyrido<2,1-b>chinazolin-11-on
11H-pyrido<2,1-b>quinazolin-11-one
MONJTOUXCWKOFS-UHFFFAOYSA
piracridone
pyrido<2,1-b>quinazolin-10-one
CHEMBL1502567
pyrido[2,1-b]quinazolin-10-one
578-96-1
AE-641/00636037
MLS000728886
11H-pyrido[2,1-b]quinazolin-11-one
MONJTOUXCWKOFS-UHFFFAOYSA-
NCGC00245900-01
CS-0326940
Oprea1_644487
SR-01000631645-1
11H-Pyrido(2,1-b)quinazolin-11-one
11-PQ
SCHEMBL2427657
AKOS005617642
DTXSID50206494
HMS1666I20
HMS2705F06
CCG-41580
SMR000307164
InChI=1/C12H8N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-8H
物化性质
实验特性
LogP
1.84770
PSA
34.37000
折射率
1.684
沸点
376.9°Cat760mmHg
熔点
211-212 ºC
闪点
181.7°C
密度
1.28
计算特性
精确分子量
196.06400
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
0
同位素质量
196.063663
重原子数量
15
复杂度
381
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.5
拓扑分子极性表面积
32.7
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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