N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide

C20H17N3O3S — CID 39765147

IUPACN-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
SMILESCOc1cccc2c(C)cc(=O)n(CC(=O)Nc3nc4ccccc4s3)c12
InChIInChI=1S/C20H17N3O3S/c1-12-10-18(25)23(19-13(12)6-5-8-15(19)26-2)11-17(24)22-20-21-14-7-3-4-9-16(14)27-20/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyOGPBFWFGNKJLHV-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide (PubChem CID 39765147) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
PubChem CID39765147
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
SMILESCOc1cccc2c(C)cc(=O)n(CC(=O)Nc3nc4ccccc4s3)c12
InChIInChI=1S/C20H17N3O3S/c1-12-10-18(25)23(19-13(12)6-5-8-15(19)26-2)11-17(24)22-20-21-14-7-3-4-9-16(14)27-20/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyOGPBFWFGNKJLHV-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39764325
dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 39768575
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768507
ethyl 2-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39763580
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 30039583
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39764740
N-[4-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
CID 39768557
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
methyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 4293895
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 39768572
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide (CID 39765147) is N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide is COc1cccc2c(C)cc(=O)n(CC(=O)Nc3nc4ccccc4s3)c12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide?
The InChIKey is OGPBFWFGNKJLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-12-10-18(25)23(19-13(12)6-5-8-15(19)26-2)11-17(24)22-20-21-14-7-3-4-9-16(14)27-20/h3-10H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 39765147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).