1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one

C22H28N2O3 — CID 78903084

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one
SMILESCOc1ccccc1OCCN(C)C(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-17(22(25)24-14-8-10-18-9-4-5-11-19(18)24)23(2)15-16-27-21-13-7-6-12-20(21)26-3/h4-7,9,11-13,17H,8,10,14-16H2,1-3H3
InChIKeyDOMPVACWGYXLRY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.37
Rot. Bonds7

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one (PubChem CID 78903084) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one
PubChem CID78903084
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one
SMILESCOc1ccccc1OCCN(C)C(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-17(22(25)24-14-8-10-18-9-4-5-11-19(18)24)23(2)15-16-27-21-13-7-6-12-20(21)26-3/h4-7,9,11-13,17H,8,10,14-16H2,1-3H3
InChIKeyDOMPVACWGYXLRY-UHFFFAOYSA-N
XLogP3.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78808593
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8000597
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112824450

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one (CID 78903084) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one is COc1ccccc1OCCN(C)C(C)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one?
The InChIKey is DOMPVACWGYXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(22(25)24-14-8-10-18-9-4-5-11-19(18)24)23(2)15-16-27-21-13-7-6-12-20(21)26-3/h4-7,9,11-13,17H,8,10,14-16H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one is sourced from PubChem (CID 78903084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).