[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone

C22H26N2O3S — CID 24981846

IUPAC[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-7-5-13-23(16-17)22(25)19-9-4-11-20(15-19)28(26,27)24-14-6-10-18-8-2-3-12-21(18)24/h2-4,8-9,11-12,15,17H,5-7,10,13-14,16H2,1H3
InChIKeyFXLUQUUCLFVPJY-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.70
Rot. Bonds3

About [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone

[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 24981846) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID24981846
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-7-5-13-23(16-17)22(25)19-9-4-11-20(15-19)28(26,27)24-14-6-10-18-8-2-3-12-21(18)24/h2-4,8-9,11-12,15,17H,5-7,10,13-14,16H2,1H3
InChIKeyFXLUQUUCLFVPJY-UHFFFAOYSA-N
XLogP3.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 55539295
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
[(1R)-2-oxocyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8663385
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2556963
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 39959602
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone (CID 24981846) is [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1.
What is the InChIKey of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FXLUQUUCLFVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-17-7-5-13-23(16-17)22(25)19-9-4-11-20(15-19)28(26,27)24-14-6-10-18-8-2-3-12-21(18)24/h2-4,8-9,11-12,15,17H,5-7,10,13-14,16H2,1H3.
What are the key properties of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24981846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).