1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone

C19H21NO3 — CID 110709639

IUPAC1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-19(22)11-12-20(16-9-5-4-8-15(16)19)18(21)13-14-7-3-6-10-17(14)23-2/h3-10,22H,11-13H2,1-2H3
InChIKeyWNYUXBHDBRFGDA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone

1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 110709639) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID110709639
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(C)(O)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-19(22)11-12-20(16-9-5-4-8-15(16)19)18(21)13-14-7-3-6-10-17(14)23-2/h3-10,22H,11-13H2,1-2H3
InChIKeyWNYUXBHDBRFGDA-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,7-dihydroxy-4-(2-methoxyphenyl)-7-methyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)ethanone
CID 67714344
1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72903184
1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
CID 92601428
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709585
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 115270557
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 112533207
1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
CID 110713626
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 72901145
(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709583
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone (CID 110709639) is 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCC(C)(O)c2ccccc21.
What is the InChIKey of 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is WNYUXBHDBRFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(22)11-12-20(16-9-5-4-8-15(16)19)18(21)13-14-7-3-6-10-17(14)23-2/h3-10,22H,11-13H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone?
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 110709639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).