(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate

C23H19NO3 — CID 22330292

IUPAC(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate
SMILESCc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C23H19NO3/c1-15-7-10-17(11-8-15)27-22(25)14-24-20-6-4-3-5-18(20)23(26)19-13-16(2)9-12-21(19)24/h3-13H,14H2,1-2H3
InChIKeyAJNUURLKMAJXFF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds3

About (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate

(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate (PubChem CID 22330292) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate
PubChem CID22330292
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate
SMILESCc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C23H19NO3/c1-15-7-10-17(11-8-15)27-22(25)14-24-20-6-4-3-5-18(20)23(26)19-13-16(2)9-12-21(19)24/h3-13H,14H2,1-2H3
InChIKeyAJNUURLKMAJXFF-UHFFFAOYSA-N
XLogP4.38
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate?
The IUPAC name of (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate (CID 22330292) is (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate?
The canonical SMILES for (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate is Cc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1.
What is the InChIKey of (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate?
The InChIKey is AJNUURLKMAJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15-7-10-17(11-8-15)27-22(25)14-24-20-6-4-3-5-18(20)23(26)19-13-16(2)9-12-21(19)24/h3-13H,14H2,1-2H3.
What are the key properties of (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate?
(4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate has a molecular weight of 357.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(2-methyl-9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 22330292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).