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

C19H21NO2 — CID 82050319

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-2-22-17-11-9-16(10-12-17)19(21)14-20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyZYLQQJHWDWJXPQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.72
Rot. Bonds5

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

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone (PubChem CID 82050319) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
PubChem CID82050319
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-2-22-17-11-9-16(10-12-17)19(21)14-20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyZYLQQJHWDWJXPQ-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone (CID 82050319) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)CN2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is ZYLQQJHWDWJXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-17-11-9-16(10-12-17)19(21)14-20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 82050319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).