phenyl 2-(9-oxoacridin-10-yl)acetate

C21H15NO3 — CID 3113744

IUPACphenyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1
InChIInChI=1S/C21H15NO3/c23-20(25-15-8-2-1-3-9-15)14-22-18-12-6-4-10-16(18)21(24)17-11-5-7-13-19(17)22/h1-13H,14H2
InChIKeyYRVKAMQNQWJDDX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.76
Rot. Bonds3

About phenyl 2-(9-oxoacridin-10-yl)acetate

phenyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 3113744) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is phenyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID3113744
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namephenyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1
InChIInChI=1S/C21H15NO3/c23-20(25-15-8-2-1-3-9-15)14-22-18-12-6-4-10-16(18)21(24)17-11-5-7-13-19(17)22/h1-13H,14H2
InChIKeyYRVKAMQNQWJDDX-UHFFFAOYSA-N
XLogP3.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.76
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

(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16583730
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
CID 16583704
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
methyl 2-carbazol-9-ylacetate
CID 3745219
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of phenyl 2-(9-oxoacridin-10-yl)acetate (CID 3113744) is phenyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for phenyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for phenyl 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is YRVKAMQNQWJDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20(25-15-8-2-1-3-9-15)14-22-18-12-6-4-10-16(18)21(24)17-11-5-7-13-19(17)22/h1-13H,14H2.
What are the key properties of phenyl 2-(9-oxoacridin-10-yl)acetate?
phenyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 329.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 3113744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).