1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone

C17H12FNO2 — CID 28825225

IUPAC1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C17H12FNO2/c1-11(20)13-7-8-15(14(18)10-13)21-16-6-2-4-12-5-3-9-19-17(12)16/h2-10H,1H3
InChIKeyNHFRSEJGXPHZGC-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone

1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone (PubChem CID 28825225) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
PubChem CID28825225
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C17H12FNO2/c1-11(20)13-7-8-15(14(18)10-13)21-16-6-2-4-12-5-3-9-19-17(12)16/h2-10H,1H3
InChIKeyNHFRSEJGXPHZGC-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
3-amino-4-quinolin-8-yloxybenzamide
CID 43448569
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
(1R)-1-(5-fluoro-2-quinolin-8-yloxyphenyl)ethanol
CID 63372518
4-quinolin-8-yloxybenzoic acid
CID 28825287
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
1-(5-fluoro-2-quinolin-8-yloxyphenyl)ethanamine
CID 43212382
1-(5-fluoro-2-quinolin-8-yloxyphenyl)-N-methylmethanamine
CID 43314311

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone (CID 28825225) is 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2cccc3cccnc23)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone?
The InChIKey is NHFRSEJGXPHZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11(20)13-7-8-15(14(18)10-13)21-16-6-2-4-12-5-3-9-19-17(12)16/h2-10H,1H3.
What are the key properties of 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone?
1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone has a molecular weight of 281.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone is sourced from PubChem (CID 28825225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).