6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one

C18H26N2O4S — CID 110610346

IUPAC6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOCC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1
InChIInChI=1S/C18H26N2O4S/c1-3-24-13-14-5-4-10-20(12-14)25(22,23)16-7-8-17-15(11-16)6-9-18(21)19(17)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeyABJUCVYYMIUKJR-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.03
Rot. Bonds5

About 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one

6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 110610346) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID110610346
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOCC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1
InChIInChI=1S/C18H26N2O4S/c1-3-24-13-14-5-4-10-20(12-14)25(22,23)16-7-8-17-15(11-16)6-9-18(21)19(17)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeyABJUCVYYMIUKJR-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 95756856
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110627587
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603
2-[(3R)-3-(ethoxymethyl)piperidin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 95781642
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine
CID 164639150
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284

Frequently Asked Questions

What is the IUPAC name of 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one (CID 110610346) is 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one is CCOCC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1.
What is the InChIKey of 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ABJUCVYYMIUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-24-13-14-5-4-10-20(12-14)25(22,23)16-7-8-17-15(11-16)6-9-18(21)19(17)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 366.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110610346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).