1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

C25H32N2O3 — CID 39895245

IUPAC1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C25H32N2O3/c1-7-30-21-11-12-23-22(14-21)18(2)15-25(3,4)27(23)24(28)17-26(5)16-19-9-8-10-20(13-19)29-6/h8-15H,7,16-17H2,1-6H3
InChIKeyMZBKQMVQCIBTMW-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.75
Rot. Bonds7

About 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 39895245) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID39895245
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C25H32N2O3/c1-7-30-21-11-12-23-22(14-21)18(2)15-25(3,4)27(23)24(28)17-26(5)16-19-9-8-10-20(13-19)29-6/h8-15H,7,16-17H2,1-6H3
InChIKeyMZBKQMVQCIBTMW-UHFFFAOYSA-N
XLogP4.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
CID 139670132
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone
CID 24578421
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 26496510
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 649182
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (CID 39895245) is 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is MZBKQMVQCIBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-7-30-21-11-12-23-22(14-21)18(2)15-25(3,4)27(23)24(28)17-26(5)16-19-9-8-10-20(13-19)29-6/h8-15H,7,16-17H2,1-6H3.
What are the key properties of 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 408.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 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-[(3-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 39895245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).