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

C20H16FN3O5S — CID 15604965

IUPACethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccccc4F)cc3c12
InChIInChI=1S/C20H16FN3O5S/c1-2-29-20(26)13-10-22-18-17(13)12-9-11(7-8-15(12)23-19(18)25)24-30(27,28)16-6-4-3-5-14(16)21/h3-10,22,24H,2H2,1H3,(H,23,25)
InChIKeySXTUOJGRQWVTRD-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.13
Rot. Bonds5

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

ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15604965) has the molecular formula C20H16FN3O5S and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15604965
Molecular FormulaC20H16FN3O5S
Molecular Weight429.43 g/mol
Exact Mass429.08
IUPAC Nameethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccccc4F)cc3c12
InChIInChI=1S/C20H16FN3O5S/c1-2-29-20(26)13-10-22-18-17(13)12-9-11(7-8-15(12)23-19(18)25)24-30(27,28)16-6-4-3-5-14(16)21/h3-10,22,24H,2H2,1H3,(H,23,25)
InChIKeySXTUOJGRQWVTRD-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

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

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Related Compounds

CID 138403145
CID 138403145
CID 176468777
CID 176468777
CID 168339103
CID 168339103
CID 42162893
CID 42162893
CID 15604550
CID 15604550
CID 15604554
CID 15604554
CID 15604636
CID 15604636
CID 15605221
CID 15605221
CID 15605493
CID 15605493
CID 15605494
CID 15605494
CID 15605565
CID 15605565
CID 15605566
CID 15605566

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15604965) is ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[(2-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)c4ccccc4F)cc3c12.
What is the InChIKey of ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is SXTUOJGRQWVTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5S/c1-2-29-20(26)13-10-22-18-17(13)12-9-11(7-8-15(12)23-19(18)25)24-30(27,28)16-6-4-3-5-14(16)21/h3-10,22,24H,2H2,1H3,(H,23,25).
What are the key properties of ethyl 8-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[(2-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-[(2-fluorophenyl)sulfonylamino]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15604965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).