2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide

C21H19N3OS — CID 169414867

IUPAC2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2cccc3ncsc23)nc2c(CC(=O)N(C)C)cccc12
InChIInChI=1S/C21H19N3OS/c1-13-10-18(16-8-5-9-17-21(16)26-12-22-17)23-20-14(6-4-7-15(13)20)11-19(25)24(2)3/h4-10,12H,11H2,1-3H3
InChIKeyATDIYJKVGIYQIO-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.45
Rot. Bonds3

About 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide

2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide (PubChem CID 169414867) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide
PubChem CID169414867
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2cccc3ncsc23)nc2c(CC(=O)N(C)C)cccc12
InChIInChI=1S/C21H19N3OS/c1-13-10-18(16-8-5-9-17-21(16)26-12-22-17)23-20-14(6-4-7-15(13)20)11-19(25)24(2)3/h4-10,12H,11H2,1-3H3
InChIKeyATDIYJKVGIYQIO-UHFFFAOYSA-N
XLogP4.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-methyl-2-(3-methyl-1,2-oxazol-5-yl)quinolin-8-yl]acetamide
CID 169420759
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
CID 169414553
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide
CID 169418434
2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol
CID 169412939
methyl 2-(1,3-benzothiazol-7-yl)acetate
CID 162379786
2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide
CID 170509127
N,N-dimethyl-2-(4-quinolin-5-ylphenyl)acetamide
CID 119074954
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(hydroxymethyl)phenyl]acetamide
CID 163304872
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol
CID 170505269

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide (CID 169414867) is 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide is Cc1cc(-c2cccc3ncsc23)nc2c(CC(=O)N(C)C)cccc12.
What is the InChIKey of 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide?
The InChIKey is ATDIYJKVGIYQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-10-18(16-8-5-9-17-21(16)26-12-22-17)23-20-14(6-4-7-15(13)20)11-19(25)24(2)3/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide?
2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide has a molecular weight of 361.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 169414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).