ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

C21H25FN2O3S — CID 22198887

IUPACethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1c2ccc(F)cc2CCC1C
InChIInChI=1S/C21H25FN2O3S/c1-4-16-11-17(21(26)27-5-2)20(28-16)23-19(25)12-24-13(3)6-7-14-10-15(22)8-9-18(14)24/h8-11,13H,4-7,12H2,1-3H3,(H,23,25)
InChIKeyBCZOQOOVWGBEDF-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.41
Rot. Bonds6

About ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 22198887) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID22198887
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Nameethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1c2ccc(F)cc2CCC1C
InChIInChI=1S/C21H25FN2O3S/c1-4-16-11-17(21(26)27-5-2)20(28-16)23-19(25)12-24-13(3)6-7-14-10-15(22)8-9-18(14)24/h8-11,13H,4-7,12H2,1-3H3,(H,23,25)
InChIKeyBCZOQOOVWGBEDF-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 27527116
ethyl 2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22198873
methyl 5-ethyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22199970
N-(2-ethylphenyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198917
N-(3,4-dimethylphenyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198955
methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
CID 2025417
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
N-cyclohexyl-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198947
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55739030
ethyl 5-ethyl-2-[[2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55842152

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 22198887) is ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CN1c2ccc(F)cc2CCC1C.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is BCZOQOOVWGBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-4-16-11-17(21(26)27-5-2)20(28-16)23-19(25)12-24-13(3)6-7-14-10-15(22)8-9-18(14)24/h8-11,13H,4-7,12H2,1-3H3,(H,23,25).
What are the key properties of ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 22198887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).