(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate

C21H14FNO3 — CID 16605438

IUPAC(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(F)cc1
InChIInChI=1S/C21H14FNO3/c22-14-9-11-15(12-10-14)26-20(24)13-23-18-7-3-1-5-16(18)21(25)17-6-2-4-8-19(17)23/h1-12H,13H2
InChIKeyVKKHBQOFSIVCHY-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.90
Rot. Bonds3

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

(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16605438) has the molecular formula C21H14FNO3 and a molecular weight of 347.35 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
PubChem CID16605438
Molecular FormulaC21H14FNO3
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(F)cc1
InChIInChI=1S/C21H14FNO3/c22-14-9-11-15(12-10-14)26-20(24)13-23-18-7-3-1-5-16(18)21(25)17-6-2-4-8-19(17)23/h1-12H,13H2
InChIKeyVKKHBQOFSIVCHY-UHFFFAOYSA-N
XLogP3.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16583730
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-(9-oxoacridin-10-yl)acetate
CID 46510880
(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
CID 16583704
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46498530

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate (CID 16605438) is (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is VKKHBQOFSIVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3/c22-14-9-11-15(12-10-14)26-20(24)13-23-18-7-3-1-5-16(18)21(25)17-6-2-4-8-19(17)23/h1-12H,13H2.
What are the key properties of (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate?
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 347.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16605438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).