8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C18H19N3O6S — CID 68565883

IUPAC8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C18H19N3O6S/c1-21(10-4-6-27-7-5-10)28(25,26)11-2-3-14-12(8-11)15-13(18(23)24)9-19-16(15)17(22)20-14/h2-3,8-10,19H,4-7H2,1H3,(H,20,22)(H,23,24)
InChIKeyBZZWDZJABMXGJN-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.51
Rot. Bonds4

About 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68565883) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68565883
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C18H19N3O6S/c1-21(10-4-6-27-7-5-10)28(25,26)11-2-3-14-12(8-11)15-13(18(23)24)9-19-16(15)17(22)20-14/h2-3,8-10,19H,4-7H2,1H3,(H,20,22)(H,23,24)
InChIKeyBZZWDZJABMXGJN-UHFFFAOYSA-N
XLogP1.51
TPSA132.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68565883) is 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is CN(C1CCOCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1.
What is the InChIKey of 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is BZZWDZJABMXGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-21(10-4-6-27-7-5-10)28(25,26)11-2-3-14-12(8-11)15-13(18(23)24)9-19-16(15)17(22)20-14/h2-3,8-10,19H,4-7H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 405.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).