ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C20H15F2N3O5S — CID 15604550

IUPACethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12
InChIInChI=1S/C20H15F2N3O5S/c1-2-30-20(27)15-9-23-18-17(15)14-8-13(3-4-16(14)24-19(18)26)31(28,29)25-12-6-10(21)5-11(22)7-12/h3-9,23,25H,2H2,1H3,(H,24,26)
InChIKeyRRFPKSOUIHCHLG-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.27
Rot. Bonds5

About ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15604550) has the molecular formula C20H15F2N3O5S and a molecular weight of 447.42 g/mol. Its IUPAC name is ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15604550
Molecular FormulaC20H15F2N3O5S
Molecular Weight447.42 g/mol
Exact Mass447.07
IUPAC Nameethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12
InChIInChI=1S/C20H15F2N3O5S/c1-2-30-20(27)15-9-23-18-17(15)14-8-13(3-4-16(14)24-19(18)26)31(28,29)25-12-6-10(21)5-11(22)7-12/h3-9,23,25H,2H2,1H3,(H,24,26)
InChIKeyRRFPKSOUIHCHLG-UHFFFAOYSA-N
XLogP3.27
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15604550) is ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12.
What is the InChIKey of ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is RRFPKSOUIHCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O5S/c1-2-30-20(27)15-9-23-18-17(15)14-8-13(3-4-16(14)24-19(18)26)31(28,29)25-12-6-10(21)5-11(22)7-12/h3-9,23,25H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 447.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(3,5-difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15604550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).