[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C24H20N2O5 — CID 2586208

IUPAC[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C1COc2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2N1
InChIInChI=1S/C24H20N2O5/c27-20(14-9-10-21-19(11-14)26-22(28)13-30-21)12-31-24(29)23-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)23/h1,3,5,7,9-11H,2,4,6,8,12-13H2,(H,26,28)
InChIKeyVGRBPZONNFSCPH-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.48
Rot. Bonds4

About [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2586208) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2586208
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C1COc2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2N1
InChIInChI=1S/C24H20N2O5/c27-20(14-9-10-21-19(11-14)26-22(28)13-30-21)12-31-24(29)23-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)23/h1,3,5,7,9-11H,2,4,6,8,12-13H2,(H,26,28)
InChIKeyVGRBPZONNFSCPH-UHFFFAOYSA-N
XLogP3.48
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 71905055
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30688281
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
[2-oxo-2-(4-phenylphenyl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2282653
[2-(3-methoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2146251
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679
[2-(3-nitrophenyl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 19057242
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2455880
[2-(4-butylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839940
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666150
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 23934910

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2586208) is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C1COc2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)cc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is VGRBPZONNFSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c27-20(14-9-10-21-19(11-14)26-22(28)13-30-21)12-31-24(29)23-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)23/h1,3,5,7,9-11H,2,4,6,8,12-13H2,(H,26,28).
What are the key properties of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 416.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2586208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).