[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C23H16FNO4 — CID 16587190

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H16FNO4/c24-16-11-9-15(10-12-16)21(26)14-29-22(27)13-25-19-7-3-1-5-17(19)23(28)18-6-2-4-8-20(18)25/h1-12H,13-14H2
InChIKeyVISMXUINWZXOBA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.72
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587190) has the molecular formula C23H16FNO4 and a molecular weight of 389.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587190
Molecular FormulaC23H16FNO4
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H16FNO4/c24-16-11-9-15(10-12-16)21(26)14-29-22(27)13-25-19-7-3-1-5-17(19)23(28)18-6-2-4-8-20(18)25/h1-12H,13-14H2
InChIKeyVISMXUINWZXOBA-UHFFFAOYSA-N
XLogP3.72
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612511
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 1217745
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
(2-morpholin-4-yl-2-oxoethyl) 2-(9-oxoacridin-10-yl)acetate
CID 2900544
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587190) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is VISMXUINWZXOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4/c24-16-11-9-15(10-12-16)21(26)14-29-22(27)13-25-19-7-3-1-5-17(19)23(28)18-6-2-4-8-20(18)25/h1-12H,13-14H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 389.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).