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

C19H14N2O4 — CID 44567524

IUPACethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C19H14N2O4/c1-3-25-19(24)13-12-16(21-9-5-6-10(2)15(13)21)18(23)14-11(17(12)22)7-4-8-20-14/h4-9H,3H2,1-2H3
InChIKeyIJWMQVWAYYZESL-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.59
Rot. Bonds2

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

ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 44567524) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID44567524
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Nameethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C19H14N2O4/c1-3-25-19(24)13-12-16(21-9-5-6-10(2)15(13)21)18(23)14-11(17(12)22)7-4-8-20-14/h4-9H,3H2,1-2H3
InChIKeyIJWMQVWAYYZESL-UHFFFAOYSA-N
XLogP2.59
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.59
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-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 44567524) is ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is IJWMQVWAYYZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-3-25-19(24)13-12-16(21-9-5-6-10(2)15(13)21)18(23)14-11(17(12)22)7-4-8-20-14/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 44567524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).