ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C18H19N3O5S — CID 15947289

IUPACethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12
InChIInChI=1S/C18H19N3O5S/c1-2-26-18(23)13-10-19-16-15(13)12-9-11(5-6-14(12)20-17(16)22)27(24,25)21-7-3-4-8-21/h5-6,9-10,19H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyINMUBCMLMHEFRM-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.97
Rot. Bonds4

About ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15947289) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15947289
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Nameethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12
InChIInChI=1S/C18H19N3O5S/c1-2-26-18(23)13-10-19-16-15(13)12-9-11(5-6-14(12)20-17(16)22)27(24,25)21-7-3-4-8-21/h5-6,9-10,19H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyINMUBCMLMHEFRM-UHFFFAOYSA-N
XLogP1.97
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate with MolForge

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Related Compounds

3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid
CID 68940997
ethyl 8-[(4-fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605565
ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 87499500
ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604631
ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605161
propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15948392
4-oxo-8-sulfo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 87498912
propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
CID 161136640
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68562980
(8-benzylsulfonyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) ethyl carbonate
CID 68569515
[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-piperidin-1-ylmethanone
CID 11574955

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15947289) is ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12.
What is the InChIKey of ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is INMUBCMLMHEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-2-26-18(23)13-10-19-16-15(13)12-9-11(5-6-14(12)20-17(16)22)27(24,25)21-7-3-4-8-21/h5-6,9-10,19H,2-4,7-8H2,1H3,(H,20,22).
What are the key properties of ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).