propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C17H18FN3O5S — CID 15947403

IUPACpropyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(C)C)cc3c12
InChIInChI=1S/C17H18FN3O5S/c1-4-5-26-17(23)10-8-19-15-14(10)9-6-13(27(24,25)21(2)3)11(18)7-12(9)20-16(15)22/h6-8,19H,4-5H2,1-3H3,(H,20,22)
InChIKeyZRYLTOPMSQGZQH-UHFFFAOYSA-N
MW395.41 g/mol
LogP1.97
Rot. Bonds5

About propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15947403) has the molecular formula C17H18FN3O5S and a molecular weight of 395.41 g/mol. Its IUPAC name is propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namepropyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15947403
Molecular FormulaC17H18FN3O5S
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Namepropyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(C)C)cc3c12
InChIInChI=1S/C17H18FN3O5S/c1-4-5-26-17(23)10-8-19-15-14(10)9-6-13(27(24,25)21(2)3)11(18)7-12(9)20-16(15)22/h6-8,19H,4-5H2,1-3H3,(H,20,22)
InChIKeyZRYLTOPMSQGZQH-UHFFFAOYSA-N
XLogP1.97
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15947403) is propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(C)C)cc3c12.
What is the InChIKey of propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is ZRYLTOPMSQGZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S/c1-4-5-26-17(23)10-8-19-15-14(10)9-6-13(27(24,25)21(2)3)11(18)7-12(9)20-16(15)22/h6-8,19H,4-5H2,1-3H3,(H,20,22).
What are the key properties of propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 395.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15947403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).