1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one

C23H24FN3O3S — CID 110222612

IUPAC1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
SMILESNc1cc2ccccc2nc1C1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O3S/c24-18-7-9-19(10-8-18)31(29,30)13-11-22(28)27-12-3-5-17(15-27)23-20(25)14-16-4-1-2-6-21(16)26-23/h1-2,4,6-10,14,17H,3,5,11-13,15,25H2
InChIKeyIJOBAUKFPGTFDU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one

1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one (PubChem CID 110222612) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
PubChem CID110222612
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
SMILESNc1cc2ccccc2nc1C1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O3S/c24-18-7-9-19(10-8-18)31(29,30)13-11-22(28)27-12-3-5-17(15-27)23-20(25)14-16-4-1-2-6-21(16)26-23/h1-2,4,6-10,14,17H,3,5,11-13,15,25H2
InChIKeyIJOBAUKFPGTFDU-UHFFFAOYSA-N
XLogP3.53
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602854
4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 92603216
1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 92610986
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 110222607
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one?
The IUPAC name of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one (CID 110222612) is 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one is Nc1cc2ccccc2nc1C1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one?
The InChIKey is IJOBAUKFPGTFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c24-18-7-9-19(10-8-18)31(29,30)13-11-22(28)27-12-3-5-17(15-27)23-20(25)14-16-4-1-2-6-21(16)26-23/h1-2,4,6-10,14,17H,3,5,11-13,15,25H2.
What are the key properties of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one?
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one has a molecular weight of 441.53 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one is sourced from PubChem (CID 110222612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).