(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

C24H28F2N2O3S — CID 55768472

IUPAC(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(F)cc(F)c43)CC2)cc1
InChIInChI=1S/C24H28F2N2O3S/c1-16(2)17-5-7-21(8-6-17)32(30,31)27-12-9-18(10-13-27)24(29)28-11-3-4-19-14-20(25)15-22(26)23(19)28/h5-8,14-16,18H,3-4,9-13H2,1-2H3
InChIKeyXIAJVRKQNQHTDE-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.47
Rot. Bonds4

About (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 55768472) has the molecular formula C24H28F2N2O3S and a molecular weight of 462.56 g/mol. Its IUPAC name is (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID55768472
Molecular FormulaC24H28F2N2O3S
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(F)cc(F)c43)CC2)cc1
InChIInChI=1S/C24H28F2N2O3S/c1-16(2)17-5-7-21(8-6-17)32(30,31)27-12-9-18(10-13-27)24(29)28-11-3-4-19-14-20(25)15-22(26)23(19)28/h5-8,14-16,18H,3-4,9-13H2,1-2H3
InChIKeyXIAJVRKQNQHTDE-UHFFFAOYSA-N
XLogP4.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55837185
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55674032
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119631416
N-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410598
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 25499909
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165

Frequently Asked Questions

What is the IUPAC name of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (CID 55768472) is (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(F)cc(F)c43)CC2)cc1.
What is the InChIKey of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is XIAJVRKQNQHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O3S/c1-16(2)17-5-7-21(8-6-17)32(30,31)27-12-9-18(10-13-27)24(29)28-11-3-4-19-14-20(25)15-22(26)23(19)28/h5-8,14-16,18H,3-4,9-13H2,1-2H3.
What are the key properties of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 462.56 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 55768472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).