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

C24H19N3O5S — CID 15605161

IUPACethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c12
InChIInChI=1S/C24H19N3O5S/c1-2-32-24(29)19-13-25-22-21(19)18-12-16(8-10-20(18)26-23(22)28)27-33(30,31)17-9-7-14-5-3-4-6-15(14)11-17/h3-13,25,27H,2H2,1H3,(H,26,28)
InChIKeyHOZREVOCYUGUKI-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.14
Rot. Bonds5

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

ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15605161) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15605161
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Nameethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c12
InChIInChI=1S/C24H19N3O5S/c1-2-32-24(29)19-13-25-22-21(19)18-12-16(8-10-20(18)26-23(22)28)27-33(30,31)17-9-7-14-5-3-4-6-15(14)11-17/h3-13,25,27H,2H2,1H3,(H,26,28)
InChIKeyHOZREVOCYUGUKI-UHFFFAOYSA-N
XLogP4.14
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15605161) is ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c12.
What is the InChIKey of ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is HOZREVOCYUGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c1-2-32-24(29)19-13-25-22-21(19)18-12-16(8-10-20(18)26-23(22)28)27-33(30,31)17-9-7-14-5-3-4-6-15(14)11-17/h3-13,25,27H,2H2,1H3,(H,26,28).
What are the key properties of ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 461.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15605161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).