2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H23NO3 — CID 110636961

IUPAC2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)c3cccc(C)c32)cc1
InChIInChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)13-19(23)21-12-11-18(22)17-6-4-5-14(2)20(17)21/h4-10,18,22H,3,11-13H2,1-2H3
InChIKeyHJCCZFFAJDJJLP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110636961) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110636961
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)c3cccc(C)c32)cc1
InChIInChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)13-19(23)21-12-11-18(22)17-6-4-5-14(2)20(17)21/h4-10,18,22H,3,11-13H2,1-2H3
InChIKeyHJCCZFFAJDJJLP-UHFFFAOYSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636958
1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110636963
1-(4-ethoxyphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637065
(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 110636985
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637024
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110743420
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110400041

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110636961) is 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CCOc1ccc(CC(=O)N2CCC(O)c3cccc(C)c32)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is HJCCZFFAJDJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)13-19(23)21-12-11-18(22)17-6-4-5-14(2)20(17)21/h4-10,18,22H,3,11-13H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110636961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).