1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one

C24H26ClFN2O3S — CID 20905303

IUPAC1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
SMILESCCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C24H26ClFN2O3S/c1-2-3-10-28-16-23(32(30,31)18-9-7-8-17(25)13-18)24(29)19-14-20(26)22(15-21(19)28)27-11-5-4-6-12-27/h7-9,13-16H,2-6,10-12H2,1H3
InChIKeyAHBOROPELBHQLE-UHFFFAOYSA-N
MW477.00 g/mol
LogP5.42
Rot. Bonds6

About 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one

1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one (PubChem CID 20905303) has the molecular formula C24H26ClFN2O3S and a molecular weight of 477.00 g/mol. Its IUPAC name is 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
PubChem CID20905303
Molecular FormulaC24H26ClFN2O3S
Molecular Weight477.00 g/mol
Exact Mass476.13
IUPAC Name1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
SMILESCCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C24H26ClFN2O3S/c1-2-3-10-28-16-23(32(30,31)18-9-7-8-17(25)13-18)24(29)19-14-20(26)22(15-21(19)28)27-11-5-4-6-12-27/h7-9,13-16H,2-6,10-12H2,1H3
InChIKeyAHBOROPELBHQLE-UHFFFAOYSA-N
XLogP5.42
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.00
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one with MolForge

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Related Compounds

1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
CID 20905323
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905140
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
CID 53337141
3-(benzenesulfonyl)-1-butyl-6-fluoro-7-(3-methylpiperidin-1-yl)quinolin-4-one
CID 20905047
7-(azepan-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18560071
1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one
CID 18590436
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-morpholin-4-ylquinolin-4-one
CID 20905324
3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
CID 20905298
1-butyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20905060
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The IUPAC name of 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one (CID 20905303) is 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one.
What is the SMILES notation for 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The canonical SMILES for 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one is CCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21.
What is the InChIKey of 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The InChIKey is AHBOROPELBHQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O3S/c1-2-3-10-28-16-23(32(30,31)18-9-7-8-17(25)13-18)24(29)19-14-20(26)22(15-21(19)28)27-11-5-4-6-12-27/h7-9,13-16H,2-6,10-12H2,1H3.
What are the key properties of 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one has a molecular weight of 477.00 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one is sourced from PubChem (CID 20905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).