CAS号:1354639-61-4-methyl 4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate - Methyl 4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate-科华智慧

1. 主信息

英文名:	Methyl 4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
中文名:	methyl 4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CAS编号:	1354639-61-4
化学分子式：	C₁₃H₁₃NO₅
化学分子量：	263.25 g/mol
SMILES：	CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)OC)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	100mg	98%	1760	-20℃	现货	-
科华智慧	250mg	98%	3360	-20℃	现货	-
科华智慧	1g	98%	7840	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 1.9860 -2.4645 0.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -2.0705 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 2.4071 -0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -1.0514 0.8637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -0.0529 -1.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 2.0812 -0.0233 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 1.1699 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -0.2104 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -0.6987 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 0.1660 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 1.6457 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -1.1064 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 1.6207 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 3.5176 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 -0.6445 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.7197 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 -0.3134 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0121 -3.1248 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 -1.5903 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 2.6785 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 3.7687 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 3.7967 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 4.1011 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 -1.3423 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 1.0866 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -2.2910 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -4.1280 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 -3.2185 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -2.5921 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4798 -2.1596 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -2.2649 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1045 -0.7826 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 17 1 0 0 0 0 4 19 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl 4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxylate

4.2 InChl

InChI=1S/C13H13NO5/c1-14-7-5-4-6-8(18-2)9(7)11(15)10(12(14)16)13(17)19-3/h4-6,15H,1-3H3

4.3 InChlKey

KXWAXDAVHXZBSL-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)OC)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型