8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C19H24N4O5S — CID 68562980

IUPAC8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCCN(CC)CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C19H24N4O5S/c1-4-23(5-2)9-8-22(3)29(27,28)12-6-7-15-13(10-12)16-14(19(25)26)11-20-17(16)18(24)21-15/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyHISQDXOVYHIIIB-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.67
Rot. Bonds8

About 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68562980) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68562980
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCCN(CC)CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C19H24N4O5S/c1-4-23(5-2)9-8-22(3)29(27,28)12-6-7-15-13(10-12)16-14(19(25)26)11-20-17(16)18(24)21-15/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyHISQDXOVYHIIIB-UHFFFAOYSA-N
XLogP1.67
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68562980) is 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is CCN(CC)CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1.
What is the InChIKey of 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is HISQDXOVYHIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-23(5-2)9-8-22(3)29(27,28)12-6-7-15-13(10-12)16-14(19(25)26)11-20-17(16)18(24)21-15/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 420.49 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68562980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).