4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide

C23H24FN3O4S — CID 42908649

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC1CC(C)CN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)C1
InChIInChI=1S/C23H24FN3O4S/c1-14-9-15(2)13-27(12-14)23(29)20-11-22(28)25-21-8-7-18(10-19(20)21)32(30,31)26-17-5-3-16(24)4-6-17/h3-8,10-11,14-15,26H,9,12-13H2,1-2H3,(H,25,28)
InChIKeyZZYOKZREJKPNAT-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.59
Rot. Bonds4

About 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide

4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 42908649) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID42908649
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC1CC(C)CN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)C1
InChIInChI=1S/C23H24FN3O4S/c1-14-9-15(2)13-27(12-14)23(29)20-11-22(28)25-21-8-7-18(10-19(20)21)32(30,31)26-17-5-3-16(24)4-6-17/h3-8,10-11,14-15,26H,9,12-13H2,1-2H3,(H,25,28)
InChIKeyZZYOKZREJKPNAT-UHFFFAOYSA-N
XLogP3.59
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 155967753
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 43010282
6-[(4-fluorophenyl)sulfamoyl]-2-oxo-N-(3-phenylprop-2-ynyl)-1H-quinoline-4-carboxamide
CID 55510277
N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 24540685
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 3422172

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide (CID 42908649) is 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide is CC1CC(C)CN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is ZZYOKZREJKPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-14-9-15(2)13-27(12-14)23(29)20-11-22(28)25-21-8-7-18(10-19(20)21)32(30,31)26-17-5-3-16(24)4-6-17/h3-8,10-11,14-15,26H,9,12-13H2,1-2H3,(H,25,28).
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide?
4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 457.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 42908649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).