3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one

C23H24ClFN2O3S — CID 20905279

IUPAC3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one
SMILESCC1CC(C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3C)C1
InChIInChI=1S/C23H24ClFN2O3S/c1-14-7-15(2)12-27(11-14)21-10-20-18(9-19(21)25)23(28)22(13-26(20)3)31(29,30)17-6-4-5-16(24)8-17/h4-6,8-10,13-15H,7,11-12H2,1-3H3
InChIKeyQDYBIGMIOKAQHI-UHFFFAOYSA-N
MW462.97 g/mol
LogP4.65
Rot. Bonds3

About 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one

3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one (PubChem CID 20905279) has the molecular formula C23H24ClFN2O3S and a molecular weight of 462.97 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one
PubChem CID20905279
Molecular FormulaC23H24ClFN2O3S
Molecular Weight462.97 g/mol
Exact Mass462.12
IUPAC Name3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one
SMILESCC1CC(C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3C)C1
InChIInChI=1S/C23H24ClFN2O3S/c1-14-7-15(2)12-27(11-14)21-10-20-18(9-19(21)25)23(28)22(13-26(20)3)31(29,30)17-6-4-5-16(24)8-17/h4-6,8-10,13-15H,7,11-12H2,1-3H3
InChIKeyQDYBIGMIOKAQHI-UHFFFAOYSA-N
XLogP4.65
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337139
3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337143
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905303
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
1-butyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20905060
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
CID 20905323
1-butyl-3-(3,5-dimethylphenyl)sulfonyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-fluoroquinolin-4-one
CID 92705261
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
CID 53337141
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-morpholin-4-ylquinolin-4-one
CID 20905324
3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one
CID 40940230
3-(benzenesulfonyl)-1-butyl-6-fluoro-7-(3-methylpiperidin-1-yl)quinolin-4-one
CID 20905047
3-(2,4-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905169

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one (CID 20905279) is 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one is CC1CC(C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3C)C1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one?
The InChIKey is QDYBIGMIOKAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O3S/c1-14-7-15(2)12-27(11-14)21-10-20-18(9-19(21)25)23(28)22(13-26(20)3)31(29,30)17-6-4-5-16(24)8-17/h4-6,8-10,13-15H,7,11-12H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one?
3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one has a molecular weight of 462.97 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one is sourced from PubChem (CID 20905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).