2-(3-fluorophenyl)-1-quinolin-4-ylethanone

C17H12FNO — CID 105080568

IUPAC2-(3-fluorophenyl)-1-quinolin-4-ylethanone
SMILESO=C(Cc1cccc(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H12FNO/c18-13-5-3-4-12(10-13)11-17(20)15-8-9-19-16-7-2-1-6-14(15)16/h1-10H,11H2
InChIKeyZJUAOZZRHOAVJF-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-fluorophenyl)-1-quinolin-4-ylethanone

2-(3-fluorophenyl)-1-quinolin-4-ylethanone (PubChem CID 105080568) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-quinolin-4-ylethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-quinolin-4-ylethanone
PubChem CID105080568
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name2-(3-fluorophenyl)-1-quinolin-4-ylethanone
SMILESO=C(Cc1cccc(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H12FNO/c18-13-5-3-4-12(10-13)11-17(20)15-8-9-19-16-7-2-1-6-14(15)16/h1-10H,11H2
InChIKeyZJUAOZZRHOAVJF-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
CID 81197710
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-quinolin-4-ylethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-quinolin-4-ylethanone (CID 105080568) is 2-(3-fluorophenyl)-1-quinolin-4-ylethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-quinolin-4-ylethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-quinolin-4-ylethanone is O=C(Cc1cccc(F)c1)c1ccnc2ccccc12.
What is the InChIKey of 2-(3-fluorophenyl)-1-quinolin-4-ylethanone?
The InChIKey is ZJUAOZZRHOAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c18-13-5-3-4-12(10-13)11-17(20)15-8-9-19-16-7-2-1-6-14(15)16/h1-10H,11H2.
What are the key properties of 2-(3-fluorophenyl)-1-quinolin-4-ylethanone?
2-(3-fluorophenyl)-1-quinolin-4-ylethanone has a molecular weight of 265.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-quinolin-4-ylethanone is sourced from PubChem (CID 105080568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).