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

C23H19NO3 — CID 16612647

IUPAC(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESCc1ccccc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H19NO3/c1-16-8-2-3-9-17(16)15-27-22(25)14-24-20-12-6-4-10-18(20)23(26)19-11-5-7-13-21(19)24/h2-13H,14-15H2,1H3
InChIKeyHLSXAZMOBOMWLL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.21
Rot. Bonds4

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

(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612647) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612647
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESCc1ccccc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H19NO3/c1-16-8-2-3-9-17(16)15-27-22(25)14-24-20-12-6-4-10-18(20)23(26)19-11-5-7-13-21(19)24/h2-13H,14-15H2,1H3
InChIKeyHLSXAZMOBOMWLL-UHFFFAOYSA-N
XLogP4.21
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612383
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612623
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612511
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587380
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678
(2-morpholin-4-yl-2-oxoethyl) 2-(9-oxoacridin-10-yl)acetate
CID 2900544

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate (CID 16612647) is (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate is Cc1ccccc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is HLSXAZMOBOMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-16-8-2-3-9-17(16)15-27-22(25)14-24-20-12-6-4-10-18(20)23(26)19-11-5-7-13-21(19)24/h2-13H,14-15H2,1H3.
What are the key properties of (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 357.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).