CAS 76180-96-6|2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline|3-methylimidazo[4,5-f]quinolin-2-amine|3-Methyl-3H-imidazo[4,5-f]quinolin-2-amine|3-methyl-3H-imidazo[4,5-f]quinolin-2-amine|IQ|2-AMINO-3-M...

基本信息

化学结构

分子式

C₁₁H₁₀N₄

分子量

198.2239

精确质量

198.09054634

电荷

InChI

InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)

InChIKey

ARZWATDYIYAUTA-UHFFFAOYSA-N

Canonic Smiles

Nc1nc2c(n1C)ccc1c2cccn1

Isomeric Smiles

n1c2c(ccc1)c1c(cc2)n(c(n1)N)C

计算属性

JChem

LogD (pH = 7.4)

1.45

LogD (pH = 5.5)

0.63

Log P

1.50

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

6.43

极化表面积

56.73

极化性

21.26

摩尔折射率

57.96

LOG S

-2.32

数据来源

名称和标识

别名

2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline3-Methyl-3H-imidazo[4,5-f]quinolin-2-amineIQ2-AMINO-3-METHYL-3H-IMIDAZO-[4,5-f]-QUINOLINElQ3-methyl-3H-imidazo[4,5-f]quinolin-2-amineIQ

IUPAC传统名

3-methylimidazo[4,5-f]quinolin-2-amine

IUPAC标准名

3-methyl-3H-imidazo[4,5-f]quinolin-2-amine

名称和标识

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号

PDB数据库

CHEBI ID

BRENDA Ligand数据库

MetaboLights数据库

SureChEMBL数据库

Reaxys Registry

SABIO-RK数据库

PDBeChem数据库

BRENDA数据库

BKMS React数据库

CompTox数据库

CHEMBL

ACToR数据库

PubMed文献链接

KEGG ID

HMDB数据库

数据登录号

化合物性质

产品相关信息

纯度

≥98%

质检报告

下载链接

化合物性质

分子相关蛋白质

分子图谱

暂无数据

点击上传数据

描述信息

Apollo Scientific

OR1650T

Broiled fish, fried beef, commercial beef extracts & protein pyrolysates contain IQ which is highly mutagenic in the Ames assay.

OR1690T

Exhibits extraordinarily high mutagenic potency in the Ames test.

MP Biomedicals

02154189

(lQ) Purity: ≥98%

TRC

A616500

IQ is highly mutagenic in the Ames test. Investigations have shown that this compound may be present in broiled fish, fried beef, commercial beef extracts and protein pyrolysates.

ChEBI

CHEBI:42725

An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2.

描述信息

参考文献

PubChem文献

数据源提供

• Ohgaki, H., et al.: Carcinogenesis, 5, 921 (1984)

• Sugimura, T., et al.: Mutation Research, 290, 43 (1984)

• Eisenbrand & Tang: Toxicology, 84, 1 (1984)

• Josephy, P.D., et al.: Carcinogenesis, 16,

• Stavric, B., et al.: Fd. Chem. Toxic., 31, 12, 981 (1984)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline3-Methyl-3H-imidazo[4,5-f]quinolin-2-amineIQ2-AMINO-3-METHYL-3H-IMIDAZO-[4,5-f]-QUINOLINElQ3-methyl-3H-imidazo[4,5-f]quinolin-2-amineIQ

IUPAC传统名

3-methylimidazo[4,5-f]quinolin-2-amine

IUPAC标准名

3-methyl-3H-imidazo[4,5-f]quinolin-2-amine

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号

PDB数据库

CHEBI ID

BRENDA Ligand数据库

MetaboLights数据库

SureChEMBL数据库

Reaxys Registry

SABIO-RK数据库

PDBeChem数据库

BRENDA数据库

BKMS React数据库

CompTox数据库

CHEMBL

ACToR数据库

PubMed文献链接

KEGG ID

HMDB数据库

描述信息

OR1650T

Broiled fish, fried beef, commercial beef extracts & protein pyrolysates contain IQ which is highly mutagenic in the Ames assay.

OR1690T

Exhibits extraordinarily high mutagenic potency in the Ames test.

MP Biomedicals

02154189

(lQ) Purity: ≥98%

TRC

A616500

IQ is highly mutagenic in the Ames test. Investigations have shown that this compound may be present in broiled fish, fried beef, commercial beef extracts and protein pyrolysates.

ChEBI

CHEBI:42725

An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2.

参考文献

PubChem文献

数据源提供

• Ohgaki, H., et al.: Carcinogenesis, 5, 921 (1984)

• Sugimura, T., et al.: Mutation Research, 290, 43 (1984)

• Eisenbrand & Tang: Toxicology, 84, 1 (1984)

• Josephy, P.D., et al.: Carcinogenesis, 16,

• Stavric, B., et al.: Fd. Chem. Toxic., 31, 12, 981 (1984)

生物活性

PubChem BioAssay

化合物性质

产品相关信息

纯度

≥98%

质检报告

下载链接

化合物信息

ID:77925