1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone

C17H12FNO2 — CID 43226497

IUPAC1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H12FNO2/c18-14-7-1-5-13(10-14)15(20)11-21-16-8-2-4-12-6-3-9-19-17(12)16/h1-10H,11H2
InChIKeyAYUXDZHZFZLHBH-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone

1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone (PubChem CID 43226497) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
PubChem CID43226497
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H12FNO2/c18-14-7-1-5-13(10-14)15(20)11-21-16-8-2-4-12-6-3-9-19-17(12)16/h1-10H,11H2
InChIKeyAYUXDZHZFZLHBH-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-8-yloxyacetate
CID 6950984
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
CID 2395878
N-(3-fluoro-4-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 7893982
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone (CID 43226497) is 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone is O=C(COc1cccc2cccnc12)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone?
The InChIKey is AYUXDZHZFZLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-14-7-1-5-13(10-14)15(20)11-21-16-8-2-4-12-6-3-9-19-17(12)16/h1-10H,11H2.
What are the key properties of 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone?
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone has a molecular weight of 281.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 43226497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).