1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone

C19H21NO3 — CID 731799

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-2-22-17-11-5-6-12-18(17)23-14-19(21)20-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12H,2,7,9,13-14H2,1H3
InChIKeyKAAAYULNQBOWBP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone (PubChem CID 731799) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone
PubChem CID731799
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-2-22-17-11-5-6-12-18(17)23-14-19(21)20-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12H,2,7,9,13-14H2,1H3
InChIKeyKAAAYULNQBOWBP-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone with MolForge

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Related Compounds

AC-260584
CID 9928284
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
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CID 59630032
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
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1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone (CID 731799) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone is CCOc1ccccc1OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The InChIKey is KAAAYULNQBOWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-17-11-5-6-12-18(17)23-14-19(21)20-13-7-9-15-8-3-4-10-16(15)20/h3-6,8,10-12H,2,7,9,13-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone has a molecular weight of 311.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethoxyphenoxy)ethanone is sourced from PubChem (CID 731799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).