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

C18H19NO2 — CID 43227216

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-21-16-9-4-7-15(12-16)18(20)13-19-11-5-8-14-6-2-3-10-17(14)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyWFCHQIYEBKCQKG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.33
Rot. Bonds4

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

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 43227216) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID43227216
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-21-16-9-4-7-15(12-16)18(20)13-19-11-5-8-14-6-2-3-10-17(14)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyWFCHQIYEBKCQKG-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-[2-(3-methoxyphenyl)-2-oxoethyl]azepan-2-one
CID 62025171
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82050319
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 43228016
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
1-[2-(3-methoxyphenyl)-2-oxoethyl]-5,5-dimethylazepan-2-one
CID 65284721
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone (CID 43227216) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CN2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is WFCHQIYEBKCQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-16-9-4-7-15(12-16)18(20)13-19-11-5-8-14-6-2-3-10-17(14)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.33, 4 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-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43227216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).