2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one

C17H14FNO — CID 141223475

IUPAC2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one
SMILESO=C1CC(CCc2cccc(F)c2)=Nc2ccccc21
InChIInChI=1S/C17H14FNO/c18-13-5-3-4-12(10-13)8-9-14-11-17(20)15-6-1-2-7-16(15)19-14/h1-7,10H,8-9,11H2
InChIKeyKVKDTZJLQWNPKF-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.12
Rot. Bonds3

About 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one

2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one (PubChem CID 141223475) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one
PubChem CID141223475
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one
SMILESO=C1CC(CCc2cccc(F)c2)=Nc2ccccc21
InChIInChI=1S/C17H14FNO/c18-13-5-3-4-12(10-13)8-9-14-11-17(20)15-6-1-2-7-16(15)19-14/h1-7,10H,8-9,11H2
InChIKeyKVKDTZJLQWNPKF-UHFFFAOYSA-N
XLogP4.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-(3-fluorophenyl)ethyl]pyran-2,4-dione
CID 23450732
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
2-benzyl-6-bromo-3H-quinolin-4-one
CID 69363755
2-[(3-fluorophenyl)methyl]-3-methylnaphthalene-1,4-dione
CID 164945507
(4E)-4-benzylidene-2-[2-(3-fluorophenyl)ethyl]-1,3-oxazol-5-one
CID 108935994
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240285
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72871498
2-(3-fluorophenyl)ethanesulfonyl chloride
CID 2759097
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one (CID 141223475) is 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one is O=C1CC(CCc2cccc(F)c2)=Nc2ccccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one?
The InChIKey is KVKDTZJLQWNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-13-5-3-4-12(10-13)8-9-14-11-17(20)15-6-1-2-7-16(15)19-14/h1-7,10H,8-9,11H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one?
2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one has a molecular weight of 267.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one is sourced from PubChem (CID 141223475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).