4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one

C21H22F2N4O3S — CID 149346410

IUPAC4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESCCC(F)(F)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCN(c4ccncc4)CC3)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-2-21(22,23)18-14-20(28)25-19-4-3-16(13-17(18)19)31(29,30)27-11-9-26(10-12-27)15-5-7-24-8-6-15/h3-8,13-14H,2,9-12H2,1H3,(H,25,28)
InChIKeyYFDWBKZEGIDZQB-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.94
Rot. Bonds5

About 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one

4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one (PubChem CID 149346410) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
PubChem CID149346410
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
SMILESCCC(F)(F)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCN(c4ccncc4)CC3)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-2-21(22,23)18-14-20(28)25-19-4-3-16(13-17(18)19)31(29,30)27-11-9-26(10-12-27)15-5-7-24-8-6-15/h3-8,13-14H,2,9-12H2,1H3,(H,25,28)
InChIKeyYFDWBKZEGIDZQB-UHFFFAOYSA-N
XLogP2.94
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one 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

6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055302
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine
CID 23962019
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
4-[[4-(1,1-difluoropropyl)-2-oxo-1H-quinolin-6-yl]methyl]-N-(4-hydroxyphenyl)benzenesulfonamide
CID 142967295
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-(4-propylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
CID 22548557
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The IUPAC name of 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one (CID 149346410) is 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The canonical SMILES for 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one is CCC(F)(F)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCN(c4ccncc4)CC3)cc12.
What is the InChIKey of 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
The InChIKey is YFDWBKZEGIDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-2-21(22,23)18-14-20(28)25-19-4-3-16(13-17(18)19)31(29,30)27-11-9-26(10-12-27)15-5-7-24-8-6-15/h3-8,13-14H,2,9-12H2,1H3,(H,25,28).
What are the key properties of 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one?
4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one has a molecular weight of 448.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 149346410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).