N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

C29H28F2N4O5S — CID 155967753

IUPACN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C29H28F2N4O5S/c1-17(23-14-19(31)4-9-27(23)35-12-10-21(36)11-13-35)32-29(38)25-16-28(37)33-26-8-7-22(15-24(25)26)41(39,40)34-20-5-2-18(30)3-6-20/h2-9,14-17,21,34,36H,10-13H2,1H3,(H,32,38)(H,33,37)
InChIKeyXJDUKMBKMWGESS-UHFFFAOYSA-N
MW582.63 g/mol
LogP4.06
Rot. Bonds7

About N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 155967753) has the molecular formula C29H28F2N4O5S and a molecular weight of 582.63 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID155967753
Molecular FormulaC29H28F2N4O5S
Molecular Weight582.63 g/mol
Exact Mass582.17
IUPAC NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C29H28F2N4O5S/c1-17(23-14-19(31)4-9-27(23)35-12-10-21(36)11-13-35)32-29(38)25-16-28(37)33-26-8-7-22(15-24(25)26)41(39,40)34-20-5-2-18(30)3-6-20/h2-9,14-17,21,34,36H,10-13H2,1H3,(H,32,38)(H,33,37)
InChIKeyXJDUKMBKMWGESS-UHFFFAOYSA-N
XLogP4.06
TPSA131.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.63
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-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

4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 42908649
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1H-indazole-3-carboxamide
CID 139012691
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965
N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 24540685
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 111696050
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71921969
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
6-[(4-fluorophenyl)sulfamoyl]-2-oxo-N-(3-phenylprop-2-ynyl)-1H-quinoline-4-carboxamide
CID 55510277
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (CID 155967753) is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XJDUKMBKMWGESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O5S/c1-17(23-14-19(31)4-9-27(23)35-12-10-21(36)11-13-35)32-29(38)25-16-28(37)33-26-8-7-22(15-24(25)26)41(39,40)34-20-5-2-18(30)3-6-20/h2-9,14-17,21,34,36H,10-13H2,1H3,(H,32,38)(H,33,37).
What are the key properties of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 582.63 g/mol, XLogP of 4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 155967753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).