ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate

C26H22N2O6 — CID 16587255

IUPACethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H22N2O6/c1-2-33-26(32)17-9-3-6-12-20(17)27-23(29)16-34-24(30)15-28-21-13-7-4-10-18(21)25(31)19-11-5-8-14-22(19)28/h3-14H,2,15-16H2,1H3,(H,27,29)
InChIKeyHEQQJZOACUNMKM-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.51
Rot. Bonds7

About ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 16587255) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID16587255
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Nameethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H22N2O6/c1-2-33-26(32)17-9-3-6-12-20(17)27-23(29)16-34-24(30)15-28-21-13-7-4-10-18(21)25(31)19-11-5-8-14-22(19)28/h3-14H,2,15-16H2,1H3,(H,27,29)
InChIKeyHEQQJZOACUNMKM-UHFFFAOYSA-N
XLogP3.51
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
ethyl 2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7251533
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 34563069
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate (CID 16587255) is ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is HEQQJZOACUNMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c1-2-33-26(32)17-9-3-6-12-20(17)27-23(29)16-34-24(30)15-28-21-13-7-4-10-18(21)25(31)19-11-5-8-14-22(19)28/h3-14H,2,15-16H2,1H3,(H,27,29).
What are the key properties of ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 458.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 16587255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).