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

C17H16FNO2 — CID 1081718

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C17H16FNO2/c18-14-8-2-4-10-16(14)21-12-17(20)19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2
InChIKeyXDOVZSQZOLLREI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.18
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone (PubChem CID 1081718) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
PubChem CID1081718
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C17H16FNO2/c18-14-8-2-4-10-16(14)21-12-17(20)19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2
InChIKeyXDOVZSQZOLLREI-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone (CID 1081718) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone?
The InChIKey is XDOVZSQZOLLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-8-2-4-10-16(14)21-12-17(20)19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone has a molecular weight of 285.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 1081718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).