1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide

C20H21N3O5S — CID 54679933

IUPAC1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCCC(C)n1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-3-12(2)23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-12,24H,3H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyOYQKSESMHSMUDW-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.58
Rot. Bonds5

About 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide

1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 54679933) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID54679933
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCCC(C)n1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-3-12(2)23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-12,24H,3H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyOYQKSESMHSMUDW-UHFFFAOYSA-N
XLogP2.58
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (CID 54679933) is 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is CCC(C)n1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21.
What is the InChIKey of 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is OYQKSESMHSMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-12(2)23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-12,24H,3H2,1-2H3,(H,22,25)(H2,21,27,28).
What are the key properties of 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 54679933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).