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

C22H22ClFN2O3S — CID 20905140

IUPAC3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C22H22ClFN2O3S/c1-2-25-14-21(30(28,29)16-8-6-15(23)7-9-16)22(27)17-12-18(24)20(13-19(17)25)26-10-4-3-5-11-26/h6-9,12-14H,2-5,10-11H2,1H3
InChIKeyRIRJCIVIVNAHQY-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.64
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one (PubChem CID 20905140) has the molecular formula C22H22ClFN2O3S and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
PubChem CID20905140
Molecular FormulaC22H22ClFN2O3S
Molecular Weight448.95 g/mol
Exact Mass448.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C22H22ClFN2O3S/c1-2-25-14-21(30(28,29)16-8-6-15(23)7-9-16)22(27)17-12-18(24)20(13-19(17)25)26-10-4-3-5-11-26/h6-9,12-14H,2-5,10-11H2,1H3
InChIKeyRIRJCIVIVNAHQY-UHFFFAOYSA-N
XLogP4.64
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(azepan-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18560071
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905303
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
CID 20874612
3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one
CID 40940230
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
CID 20905323
1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
CID 20905220
1-ethyl-3-(4-ethylphenyl)sulfonyl-6,7-difluoroquinolin-4-one
CID 20874603
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 97032687
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one (CID 20905140) is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one is CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
The InChIKey is RIRJCIVIVNAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O3S/c1-2-25-14-21(30(28,29)16-8-6-15(23)7-9-16)22(27)17-12-18(24)20(13-19(17)25)26-10-4-3-5-11-26/h6-9,12-14H,2-5,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one?
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one has a molecular weight of 448.95 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one is sourced from PubChem (CID 20905140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).