(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one

C22H14FNO — CID 163359111

IUPAC(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cc3ccccc3nc12)c1ccc(F)cc1
InChIInChI=1S/C22H14FNO/c23-19-11-8-15(9-12-19)21(25)13-10-16-5-3-6-18-14-17-4-1-2-7-20(17)24-22(16)18/h1-14H/b13-10+
InChIKeyLFVIRXSQISLRQX-JLHYYAGUSA-N
MW327.36 g/mol
LogP5.42
Rot. Bonds3

About (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one

(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 163359111) has the molecular formula C22H14FNO and a molecular weight of 327.36 g/mol. Its IUPAC name is (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID163359111
Molecular FormulaC22H14FNO
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cc3ccccc3nc12)c1ccc(F)cc1
InChIInChI=1S/C22H14FNO/c23-19-11-8-15(9-12-19)21(25)13-10-16-5-3-6-18-14-17-4-1-2-7-20(17)24-22(16)18/h1-14H/b13-10+
InChIKeyLFVIRXSQISLRQX-JLHYYAGUSA-N
XLogP5.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one
CID 163359169
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
2-[2-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]acetaldehyde
CID 154719442
3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
2-(4-fluorophenyl)-6-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid
CID 175965483

Frequently Asked Questions

What is the IUPAC name of (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one (CID 163359111) is (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1cccc2cc3ccccc3nc12)c1ccc(F)cc1.
What is the InChIKey of (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is LFVIRXSQISLRQX-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H14FNO/c23-19-11-8-15(9-12-19)21(25)13-10-16-5-3-6-18-14-17-4-1-2-7-20(17)24-22(16)18/h1-14H/b13-10+.
What are the key properties of (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 327.36 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 163359111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).