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

C20H18N4O5S — CID 15605641

IUPACethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)c4cccnc4)cc3c12
InChIInChI=1S/C20H18N4O5S/c1-3-29-20(26)15-11-22-18-17(15)14-9-13(6-7-16(14)23-19(18)25)30(27,28)24(2)12-5-4-8-21-10-12/h4-11,22H,3H2,1-2H3,(H,23,25)
InChIKeyPXHUBVPHQJVACR-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.41
Rot. Bonds5

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

ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15605641) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15605641
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Nameethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)c4cccnc4)cc3c12
InChIInChI=1S/C20H18N4O5S/c1-3-29-20(26)15-11-22-18-17(15)14-9-13(6-7-16(14)23-19(18)25)30(27,28)24(2)12-5-4-8-21-10-12/h4-11,22H,3H2,1-2H3,(H,23,25)
InChIKeyPXHUBVPHQJVACR-UHFFFAOYSA-N
XLogP2.41
TPSA125.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15605641) is ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)c4cccnc4)cc3c12.
What is the InChIKey of ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is PXHUBVPHQJVACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-3-29-20(26)15-11-22-18-17(15)14-9-13(6-7-16(14)23-19(18)25)30(27,28)24(2)12-5-4-8-21-10-12/h4-11,22H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 426.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15605641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).