ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate

C17H14N2O4 — CID 102338610

IUPACethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate
SMILESCCOC(=O)C1=NC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O4/c1-2-23-16(22)14-15(21)19(12-6-4-3-5-7-12)17(18-14)10-8-13(20)9-11-17/h3-11H,2H2,1H3
InChIKeySXFGCYQWEHJHIP-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.43
Rot. Bonds3

About ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate

ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate (PubChem CID 102338610) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate
PubChem CID102338610
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Nameethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate
SMILESCCOC(=O)C1=NC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O4/c1-2-23-16(22)14-15(21)19(12-6-4-3-5-7-12)17(18-14)10-8-13(20)9-11-17/h3-11H,2H2,1H3
InChIKeySXFGCYQWEHJHIP-UHFFFAOYSA-N
XLogP1.43
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4,5-dioxo-1-phenylpyrazole-3-carboxylate
CID 23446953
ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2889021
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
diethyl 4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-2,3-dicarboxylate
CID 101257938
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2891433
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442

Frequently Asked Questions

What is the IUPAC name of ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate?
The IUPAC name of ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate (CID 102338610) is ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate.
What is the SMILES notation for ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate?
The canonical SMILES for ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate is CCOC(=O)C1=NC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate?
The InChIKey is SXFGCYQWEHJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-16(22)14-15(21)19(12-6-4-3-5-7-12)17(18-14)10-8-13(20)9-11-17/h3-11H,2H2,1H3.
What are the key properties of ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate?
ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate is sourced from PubChem (CID 102338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).