ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C21H19N3O6S — CID 87499500

IUPACethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(OC)c4ccccc4)cc3c12
InChIInChI=1S/C21H19N3O6S/c1-3-30-21(26)16-12-22-19-18(16)15-11-14(9-10-17(15)23-20(19)25)31(27,28)24(29-2)13-7-5-4-6-8-13/h4-12,22H,3H2,1-2H3,(H,23,25)
InChIKeyPPBSWHSSGVNUIC-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.94
Rot. Bonds6

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

ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 87499500) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID87499500
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC Nameethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(OC)c4ccccc4)cc3c12
InChIInChI=1S/C21H19N3O6S/c1-3-30-21(26)16-12-22-19-18(16)15-11-14(9-10-17(15)23-20(19)25)31(27,28)24(29-2)13-7-5-4-6-8-13/h4-12,22H,3H2,1-2H3,(H,23,25)
InChIKeyPPBSWHSSGVNUIC-UHFFFAOYSA-N
XLogP2.94
TPSA121.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 87499500) is ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[methoxy(phenyl)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(OC)c4ccccc4)cc3c12.
What is the InChIKey of ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is PPBSWHSSGVNUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-3-30-21(26)16-12-22-19-18(16)15-11-14(9-10-17(15)23-20(19)25)31(27,28)24(29-2)13-7-5-4-6-8-13/h4-12,22H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 441.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 87499500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).