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

C21H19N3O6S — CID 15604631

IUPACethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3c12
InChIInChI=1S/C21H19N3O6S/c1-3-30-21(26)16-11-22-19-18(16)15-10-14(7-8-17(15)23-20(19)25)31(27,28)24-12-5-4-6-13(9-12)29-2/h4-11,22,24H,3H2,1-2H3,(H,23,25)
InChIKeyBPDFQPWVHVIIIU-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.00
Rot. Bonds6

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

ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15604631) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15604631
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC Nameethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3c12
InChIInChI=1S/C21H19N3O6S/c1-3-30-21(26)16-11-22-19-18(16)15-10-14(7-8-17(15)23-20(19)25)31(27,28)24-12-5-4-6-13(9-12)29-2/h4-11,22,24H,3H2,1-2H3,(H,23,25)
InChIKeyBPDFQPWVHVIIIU-UHFFFAOYSA-N
XLogP3.00
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605161
ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605565
ethyl 8-(4-aminobutylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604632
ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947289
ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 87499500
8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68563358
ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605641
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 15990593
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 15990889
N-[(2-chlorophenyl)methyl]-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15993696
propyl 8-[cyanomethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15948858

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15604631) is ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3c12.
What is the InChIKey of ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is BPDFQPWVHVIIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-3-30-21(26)16-11-22-19-18(16)15-10-14(7-8-17(15)23-20(19)25)31(27,28)24-12-5-4-6-13(9-12)29-2/h4-11,22,24H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 441.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15604631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).