1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone

C18H14FNO2 — CID 86301334

IUPAC1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C18H14FNO2/c1-12(21)15-8-14-4-7-17(9-18(14)20-10-15)22-11-13-2-5-16(19)6-3-13/h2-10H,11H2,1H3
InChIKeyWEZGYEXQLLOXEL-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.16
Rot. Bonds4

About 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone

1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone (PubChem CID 86301334) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone
PubChem CID86301334
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C18H14FNO2/c1-12(21)15-8-14-4-7-17(9-18(14)20-10-15)22-11-13-2-5-16(19)6-3-13/h2-10H,11H2,1H3
InChIKeyWEZGYEXQLLOXEL-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]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-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone?
The IUPAC name of 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone (CID 86301334) is 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone is CC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone?
The InChIKey is WEZGYEXQLLOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-12(21)15-8-14-4-7-17(9-18(14)20-10-15)22-11-13-2-5-16(19)6-3-13/h2-10H,11H2,1H3.
What are the key properties of 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone?
1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone has a molecular weight of 295.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]ethanone is sourced from PubChem (CID 86301334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).