ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate

C18H11FN2O4 — CID 44567520

IUPACethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(F)c13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H11FN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3
InChIKeyBXHQQTYPTCMMRL-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.43
Rot. Bonds2

About ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate

ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate (PubChem CID 44567520) has the molecular formula C18H11FN2O4 and a molecular weight of 338.29 g/mol. Its IUPAC name is ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate.

Molecular Properties

Compound Nameethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
PubChem CID44567520
Molecular FormulaC18H11FN2O4
Molecular Weight338.29 g/mol
Exact Mass338.07
IUPAC Nameethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(F)c13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H11FN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3
InChIKeyBXHQQTYPTCMMRL-UHFFFAOYSA-N
XLogP2.43
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.43
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 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The IUPAC name of ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate (CID 44567520) is ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate.
What is the SMILES notation for ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The canonical SMILES for ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate is CCOC(=O)c1c2c(n3cccc(F)c13)C(=O)c1cccnc1C2=O.
What is the InChIKey of ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The InChIKey is BXHQQTYPTCMMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3.
What are the key properties of ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate has a molecular weight of 338.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-fluoro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate is sourced from PubChem (CID 44567520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).