2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H21NO3 — CID 43024576

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H21NO3/c1-14(22)16-9-10-19(24-2)17(12-16)13-20(23)21-11-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3
InChIKeyCKPLOXFJSBRMGI-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.42
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 43024576) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID43024576
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H21NO3/c1-14(22)16-9-10-19(24-2)17(12-16)13-20(23)21-11-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3
InChIKeyCKPLOXFJSBRMGI-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
CID 24678440
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
1-(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110737728
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-(4-acetyl-2-methoxyphenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26083759
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone
CID 25333493
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 43024576) is 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is CKPLOXFJSBRMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(22)16-9-10-19(24-2)17(12-16)13-20(23)21-11-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 323.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 43024576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).