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

C19H19NO3 — CID 2452990

IUPAC2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19NO3/c1-14(21)16-7-4-9-17(12-16)23-13-19(22)20-11-5-8-15-6-2-3-10-18(15)20/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyIFLDBFFQVLJHRT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.25
Rot. Bonds4

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

2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 2452990) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID2452990
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19NO3/c1-14(21)16-7-4-9-17(12-16)23-13-19(22)20-11-5-8-15-6-2-3-10-18(15)20/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyIFLDBFFQVLJHRT-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 2452990) is 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)c1cccc(OCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is IFLDBFFQVLJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(21)16-7-4-9-17(12-16)23-13-19(22)20-11-5-8-15-6-2-3-10-18(15)20/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 309.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 2452990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).