1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone

C24H28N2O4S — CID 112765862

IUPAC1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4CCC3C)CC2)c1
InChIInChI=1S/C24H28N2O4S/c1-17-10-11-19-6-3-4-9-23(19)26(17)24(28)20-12-14-25(15-13-20)31(29,30)22-8-5-7-21(16-22)18(2)27/h3-9,16-17,20H,10-15H2,1-2H3
InChIKeyARYWLKXRRYOEEQ-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 112765862) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID112765862
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4CCC3C)CC2)c1
InChIInChI=1S/C24H28N2O4S/c1-17-10-11-19-6-3-4-9-23(19)26(17)24(28)20-12-14-25(15-13-20)31(29,30)22-8-5-7-21(16-22)18(2)27/h3-9,16-17,20H,10-15H2,1-2H3
InChIKeyARYWLKXRRYOEEQ-UHFFFAOYSA-N
XLogP3.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone with MolForge

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Related Compounds

[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112811889
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 34217452
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 103896772
2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 42927804
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-[3-[[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]sulfonyl]phenyl]ethanone
CID 90629946

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 112765862) is 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4CCC3C)CC2)c1.
What is the InChIKey of 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is ARYWLKXRRYOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-17-10-11-19-6-3-4-9-23(19)26(17)24(28)20-12-14-25(15-13-20)31(29,30)22-8-5-7-21(16-22)18(2)27/h3-9,16-17,20H,10-15H2,1-2H3.
What are the key properties of 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 440.57 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 112765862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).