ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate

C16H17NO4 — CID 14910849

IUPACethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate
SMILESCCOC(=O)c1c2c(nc3c1CCCC3=O)C(=O)CCC2
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)13-9-5-3-7-11(18)14(9)17-15-10(13)6-4-8-12(15)19/h2-8H2,1H3
InChIKeyZPJLOGNNHNFINA-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.30
Rot. Bonds2

About ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate

ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate (PubChem CID 14910849) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate
PubChem CID14910849
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nameethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate
SMILESCCOC(=O)c1c2c(nc3c1CCCC3=O)C(=O)CCC2
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)13-9-5-3-7-11(18)14(9)17-15-10(13)6-4-8-12(15)19/h2-8H2,1H3
InChIKeyZPJLOGNNHNFINA-UHFFFAOYSA-N
XLogP2.30
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate?
The IUPAC name of ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate (CID 14910849) is ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate.
What is the SMILES notation for ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate?
The canonical SMILES for ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate is CCOC(=O)c1c2c(nc3c1CCCC3=O)C(=O)CCC2.
What is the InChIKey of ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate?
The InChIKey is ZPJLOGNNHNFINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-21-16(20)13-9-5-3-7-11(18)14(9)17-15-10(13)6-4-8-12(15)19/h2-8H2,1H3.
What are the key properties of ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate?
ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dioxo-1,2,3,6,7,8-hexahydroacridine-9-carboxylate is sourced from PubChem (CID 14910849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).