1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone

C22H32N2O3 — CID 26496510

IUPAC1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C22H32N2O3/c1-5-27-18-8-9-20-19(11-18)16(2)12-22(3,4)24(20)21(26)14-23-10-6-7-17(13-23)15-25/h8-9,11-12,17,25H,5-7,10,13-15H2,1-4H3/t17-/m1/s1
InChIKeyHYXGYSOWEQIDAY-QGZVFWFLSA-N
MW372.51 g/mol
LogP3.32
Rot. Bonds5

About 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone

1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 26496510) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID26496510
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C22H32N2O3/c1-5-27-18-8-9-20-19(11-18)16(2)12-22(3,4)24(20)21(26)14-23-10-6-7-17(13-23)15-25/h8-9,11-12,17,25H,5-7,10,13-15H2,1-4H3/t17-/m1/s1
InChIKeyHYXGYSOWEQIDAY-QGZVFWFLSA-N
XLogP3.32
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 649182
1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 132914391
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone
CID 24578421
[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium
CID 8905045
(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
CID 62372596
2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
CID 91670562
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 39895245
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-3-oxobutanoate
CID 63898307
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
CID 118986623
6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
CID 139670132

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 26496510) is 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCC[C@@H](CO)C1.
What is the InChIKey of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is HYXGYSOWEQIDAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-27-18-8-9-20-19(11-18)16(2)12-22(3,4)24(20)21(26)14-23-10-6-7-17(13-23)15-25/h8-9,11-12,17,25H,5-7,10,13-15H2,1-4H3/t17-/m1/s1.
What are the key properties of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 372.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 26496510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).