ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

C24H19FN2O3S — CID 2353018

IUPACethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C
InChIInChI=1S/C24H19FN2O3S/c1-3-30-24(29)22-14(2)12-21(31-22)27-23(28)18-13-20(15-8-10-16(25)11-9-15)26-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,27,28)
InChIKeySXWZKJVOOWOLDD-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.84
Rot. Bonds5

About ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 2353018) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID2353018
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Nameethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C
InChIInChI=1S/C24H19FN2O3S/c1-3-30-24(29)22-14(2)12-21(31-22)27-23(28)18-13-20(15-8-10-16(25)11-9-15)26-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,27,28)
InChIKeySXWZKJVOOWOLDD-UHFFFAOYSA-N
XLogP5.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (CID 2353018) is ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C.
What is the InChIKey of ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is SXWZKJVOOWOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-3-30-24(29)22-14(2)12-21(31-22)27-23(28)18-13-20(15-8-10-16(25)11-9-15)26-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,27,28).
What are the key properties of ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 434.49 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2353018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).