[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H30N2O4S — CID 31288933

IUPAC[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-3-30-21-7-9-22(10-8-21)31(28,29)25-15-12-19(13-16-25)24(27)26-14-4-5-20-17-18(2)6-11-23(20)26/h6-11,17,19H,3-5,12-16H2,1-2H3
InChIKeyCUKHKTHNSIKQPL-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.77
Rot. Bonds5

About [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 31288933) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID31288933
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-3-30-21-7-9-22(10-8-21)31(28,29)25-15-12-19(13-16-25)24(27)26-14-4-5-20-17-18(2)6-11-23(20)26/h6-11,17,19H,3-5,12-16H2,1-2H3
InChIKeyCUKHKTHNSIKQPL-UHFFFAOYSA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46361687
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-cyclopropylpiperidine-4-carboxamide
CID 46361785
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 46624519
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55758048

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 31288933) is [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CUKHKTHNSIKQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-3-30-21-7-9-22(10-8-21)31(28,29)25-15-12-19(13-16-25)24(27)26-14-4-5-20-17-18(2)6-11-23(20)26/h6-11,17,19H,3-5,12-16H2,1-2H3.
What are the key properties of [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 442.58 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 31288933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).