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

C20H16FN3O5S — CID 15604554

IUPACethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3c12
InChIInChI=1S/C20H16FN3O5S/c1-2-29-20(26)15-10-22-18-17(15)14-9-12(6-7-16(14)23-19(18)25)24-30(27,28)13-5-3-4-11(21)8-13/h3-10,22,24H,2H2,1H3,(H,23,25)
InChIKeySHOIRUUTEIEZOZ-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.13
Rot. Bonds5

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

ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15604554) has the molecular formula C20H16FN3O5S and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15604554
Molecular FormulaC20H16FN3O5S
Molecular Weight429.43 g/mol
Exact Mass429.08
IUPAC Nameethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3c12
InChIInChI=1S/C20H16FN3O5S/c1-2-29-20(26)15-10-22-18-17(15)14-9-12(6-7-16(14)23-19(18)25)24-30(27,28)13-5-3-4-11(21)8-13/h3-10,22,24H,2H2,1H3,(H,23,25)
InChIKeySHOIRUUTEIEZOZ-UHFFFAOYSA-N
XLogP3.13
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15604554) is ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3c12.
What is the InChIKey of ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is SHOIRUUTEIEZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5S/c1-2-29-20(26)15-10-22-18-17(15)14-9-12(6-7-16(14)23-19(18)25)24-30(27,28)13-5-3-4-11(21)8-13/h3-10,22,24H,2H2,1H3,(H,23,25).
What are the key properties of ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(3-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).