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

C19H20FN3O5S — CID 15947404

IUPACpropyl 8-[cyclopropyl(methyl)sulfamoyl]-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)C4CC4)cc3c12
InChIInChI=1S/C19H20FN3O5S/c1-3-6-28-19(25)12-9-21-17-16(12)11-7-15(13(20)8-14(11)22-18(17)24)29(26,27)23(2)10-4-5-10/h7-10,21H,3-6H2,1-2H3,(H,22,24)
InChIKeyPUYHORQBDKASII-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.50
Rot. Bonds6

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

propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15947404) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namepropyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15947404
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Namepropyl 8-[cyclopropyl(methyl)sulfamoyl]-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)C4CC4)cc3c12
InChIInChI=1S/C19H20FN3O5S/c1-3-6-28-19(25)12-9-21-17-16(12)11-7-15(13(20)8-14(11)22-18(17)24)29(26,27)23(2)10-4-5-10/h7-10,21H,3-6H2,1-2H3,(H,22,24)
InChIKeyPUYHORQBDKASII-UHFFFAOYSA-N
XLogP2.50
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15947404) is propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for propyl 8-[cyclopropyl(methyl)sulfamoyl]-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)C4CC4)cc3c12.
What is the InChIKey of propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is PUYHORQBDKASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-3-6-28-19(25)12-9-21-17-16(12)11-7-15(13(20)8-14(11)22-18(17)24)29(26,27)23(2)10-4-5-10/h7-10,21H,3-6H2,1-2H3,(H,22,24).
What are the key properties of propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15947404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).