ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate

C15H11NO5 — CID 14895315

IUPACethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O
InChIInChI=1S/C15H11NO5/c1-3-20-15(19)9-7(2)21-14-10(9)12(17)8-5-4-6-16-11(8)13(14)18/h4-6H,3H2,1-2H3
InChIKeyDOQJAKRLELECTO-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.94
Rot. Bonds2

About ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate

ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate (PubChem CID 14895315) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
PubChem CID14895315
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Nameethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O
InChIInChI=1S/C15H11NO5/c1-3-20-15(19)9-7(2)21-14-10(9)12(17)8-5-4-6-16-11(8)13(14)18/h4-6H,3H2,1-2H3
InChIKeyDOQJAKRLELECTO-UHFFFAOYSA-N
XLogP1.94
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-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

3-[4-(dimethylamino)pyridin-1-ium-1-yl]propyl 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate
CID 121478324
ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
CID 121478354
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829
sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 162207087
ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567523
ethyl 2-amino-4,9-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-g]quinoline-3-carboxylate
CID 25181429
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
CID 11280197
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
CID 25179522
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
2-benzoylfuro[3,2-g]quinoline-4,9-dione
CID 142308028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate (CID 14895315) is ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate is CCOC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O.
What is the InChIKey of ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate?
The InChIKey is DOQJAKRLELECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-3-20-15(19)9-7(2)21-14-10(9)12(17)8-5-4-6-16-11(8)13(14)18/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate?
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate has a molecular weight of 285.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate is sourced from PubChem (CID 14895315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).