ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

C18H12N2O4 — CID 14900032

IUPACethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H12N2O4/c1-2-24-18(23)12-11-7-3-4-9-20(11)15-13(12)16(21)10-6-5-8-19-14(10)17(15)22/h3-9H,2H2,1H3
InChIKeyOQYRVZDWHQOCGR-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.29
Rot. Bonds2

About ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 14900032) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID14900032
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Nameethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H12N2O4/c1-2-24-18(23)12-11-7-3-4-9-20(11)15-13(12)16(21)10-6-5-8-19-14(10)17(15)22/h3-9H,2H2,1H3
InChIKeyOQYRVZDWHQOCGR-UHFFFAOYSA-N
XLogP2.29
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 14900032) is ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is CCOC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is OQYRVZDWHQOCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-2-24-18(23)12-11-7-3-4-9-20(11)15-13(12)16(21)10-6-5-8-19-14(10)17(15)22/h3-9H,2H2,1H3.
What are the key properties of ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 14900032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).