dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

C22H22N2O7S — CID 39768575

IUPACdimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cccc(OC)c32)c(C(=O)OC)c1C
InChIInChI=1S/C22H22N2O7S/c1-11-9-16(26)24(18-13(11)7-6-8-14(18)29-3)10-15(25)23-20-17(21(27)30-4)12(2)19(32-20)22(28)31-5/h6-9H,10H2,1-5H3,(H,23,25)
InChIKeyVKGKCYOQDFQWNH-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.90
Rot. Bonds6

About dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 39768575) has the molecular formula C22H22N2O7S and a molecular weight of 458.49 g/mol. Its IUPAC name is dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID39768575
Molecular FormulaC22H22N2O7S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Namedimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cccc(OC)c32)c(C(=O)OC)c1C
InChIInChI=1S/C22H22N2O7S/c1-11-9-16(26)24(18-13(11)7-6-8-14(18)29-3)10-15(25)23-20-17(21(27)30-4)12(2)19(32-20)22(28)31-5/h6-9H,10H2,1-5H3,(H,23,25)
InChIKeyVKGKCYOQDFQWNH-UHFFFAOYSA-N
XLogP2.90
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46302523
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-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39765147
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768507
dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9080610
N-[4-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
CID 39768557
N-(2,6-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765352
dimethyl 3-methyl-5-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate
CID 7755576
N-(2,3-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765349
ethyl 4,5-dimethyl-2-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 39767995
dimethyl 3-methyl-5-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate
CID 1045309
N-(3,4-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765354

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 39768575) is dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)Cn2c(=O)cc(C)c3cccc(OC)c32)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is VKGKCYOQDFQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S/c1-11-9-16(26)24(18-13(11)7-6-8-14(18)29-3)10-15(25)23-20-17(21(27)30-4)12(2)19(32-20)22(28)31-5/h6-9H,10H2,1-5H3,(H,23,25).
What are the key properties of dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 458.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 39768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).