3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one

C27H23ClF2N2O3S — CID 20905323

IUPAC3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
SMILESO=c1c(S(=O)(=O)c2cccc(Cl)c2)cn(Cc2ccc(F)cc2)c2cc(N3CCCCC3)c(F)cc12
InChIInChI=1S/C27H23ClF2N2O3S/c28-19-5-4-6-21(13-19)36(34,35)26-17-32(16-18-7-9-20(29)10-8-18)24-15-25(31-11-2-1-3-12-31)23(30)14-22(24)27(26)33/h4-10,13-15,17H,1-3,11-12,16H2
InChIKeyDRUMMTBWCDUATG-UHFFFAOYSA-N
MW529.01 g/mol
LogP5.80
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one

3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one (PubChem CID 20905323) has the molecular formula C27H23ClF2N2O3S and a molecular weight of 529.01 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
PubChem CID20905323
Molecular FormulaC27H23ClF2N2O3S
Molecular Weight529.01 g/mol
Exact Mass528.11
IUPAC Name3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
SMILESO=c1c(S(=O)(=O)c2cccc(Cl)c2)cn(Cc2ccc(F)cc2)c2cc(N3CCCCC3)c(F)cc12
InChIInChI=1S/C27H23ClF2N2O3S/c28-19-5-4-6-21(13-19)36(34,35)26-17-32(16-18-7-9-20(29)10-8-18)24-15-25(31-11-2-1-3-12-31)23(30)14-22(24)27(26)33/h4-10,13-15,17H,1-3,11-12,16H2
InChIKeyDRUMMTBWCDUATG-UHFFFAOYSA-N
XLogP5.80
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.01
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-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

3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-morpholin-4-ylquinolin-4-one
CID 20905324
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905303
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905140
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
CID 53337141
7-(azepan-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18560071
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one
CID 20905279
1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
CID 20905220
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337139
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one
CID 40940230

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one (CID 20905323) is 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one is O=c1c(S(=O)(=O)c2cccc(Cl)c2)cn(Cc2ccc(F)cc2)c2cc(N3CCCCC3)c(F)cc12.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one?
The InChIKey is DRUMMTBWCDUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N2O3S/c28-19-5-4-6-21(13-19)36(34,35)26-17-32(16-18-7-9-20(29)10-8-18)24-15-25(31-11-2-1-3-12-31)23(30)14-22(24)27(26)33/h4-10,13-15,17H,1-3,11-12,16H2.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one?
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one has a molecular weight of 529.01 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one is sourced from PubChem (CID 20905323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).