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

C20H21N3O5S — CID 54676686

IUPAC4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyMLWAJOFPYWTUTE-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.26
Rot. Bonds5

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

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 54676686) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID54676686
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyMLWAJOFPYWTUTE-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54679933
4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676685
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 166860092
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
CID 166860255
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (CID 54676686) is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is MLWAJOFPYWTUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 54676686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).