ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

C18H11ClN2O4 — CID 24939278

IUPACethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H11ClN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)17(23)13-9(16(11)22)5-3-7-20-13/h3-8H,2H2,1H3
InChIKeyXHJAIXSIUCIHMV-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.94
Rot. Bonds2

About ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 24939278) has the molecular formula C18H11ClN2O4 and a molecular weight of 354.75 g/mol. Its IUPAC name is ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID24939278
Molecular FormulaC18H11ClN2O4
Molecular Weight354.75 g/mol
Exact Mass354.04
IUPAC Nameethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H11ClN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)17(23)13-9(16(11)22)5-3-7-20-13/h3-8H,2H2,1H3
InChIKeyXHJAIXSIUCIHMV-UHFFFAOYSA-N
XLogP2.94
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.94
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 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 24939278) is ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is CCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is XHJAIXSIUCIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)17(23)13-9(16(11)22)5-3-7-20-13/h3-8H,2H2,1H3.
What are the key properties of ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 354.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 24939278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).