[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C28H22FNO3 — CID 19057431

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCC(c1ccccc1)C2)c1ccc(F)cc1
InChIInChI=1S/C28H22FNO3/c29-21-13-10-19(11-14-21)26(31)17-33-28(32)27-22-8-4-5-9-24(22)30-25-15-12-20(16-23(25)27)18-6-2-1-3-7-18/h1-11,13-14,20H,12,15-17H2
InChIKeyHXPVJQNXWZYYOY-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.69
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 19057431) has the molecular formula C28H22FNO3 and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID19057431
Molecular FormulaC28H22FNO3
Molecular Weight439.49 g/mol
Exact Mass439.16
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCC(c1ccccc1)C2)c1ccc(F)cc1
InChIInChI=1S/C28H22FNO3/c29-21-13-10-19(11-14-21)26(31)17-33-28(32)27-22-8-4-5-9-24(22)30-25-15-12-20(16-23(25)27)18-6-2-1-3-7-18/h1-11,13-14,20H,12,15-17H2
InChIKeyHXPVJQNXWZYYOY-UHFFFAOYSA-N
XLogP5.69
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840037
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3622744
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23858000
[2-oxo-2-(4-phenylphenyl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2282653
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4023812
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23742518
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 19057431) is [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)CCC(c1ccccc1)C2)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is HXPVJQNXWZYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNO3/c29-21-13-10-19(11-14-21)26(31)17-33-28(32)27-22-8-4-5-9-24(22)30-25-15-12-20(16-23(25)27)18-6-2-1-3-7-18/h1-11,13-14,20H,12,15-17H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 19057431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).