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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).