[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate

C22H25NO4 — CID 46669289

IUPAC[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C22H25NO4/c1-15-8-12-19(13-9-15)27-17(3)22(25)26-14-21(24)23-16(2)10-11-18-6-4-5-7-20(18)23/h4-9,12-13,16-17H,10-11,14H2,1-3H3
InChIKeyIUFYTCRGIBCIEB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds5

About [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate (PubChem CID 46669289) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
PubChem CID46669289
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OCC(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C22H25NO4/c1-15-8-12-19(13-9-15)27-17(3)22(25)26-14-21(24)23-16(2)10-11-18-6-4-5-7-20(18)23/h4-9,12-13,16-17H,10-11,14H2,1-3H3
InChIKeyIUFYTCRGIBCIEB-UHFFFAOYSA-N
XLogP3.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate with MolForge

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112773359
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
CID 46670667
2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 112813162
2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867443
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18127121
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55481488
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55481253
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46538646

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate (CID 46669289) is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)OCC(=O)N2c3ccccc3CCC2C)cc1.
What is the InChIKey of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is IUFYTCRGIBCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-8-12-19(13-9-15)27-17(3)22(25)26-14-21(24)23-16(2)10-11-18-6-4-5-7-20(18)23/h4-9,12-13,16-17H,10-11,14H2,1-3H3.
What are the key properties of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 367.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 46669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).