ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate

C19H13NO4 — CID 12067041

IUPACethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
SMILESCCOC(=O)c1c2c(c3ccccn13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13NO4/c1-2-24-19(23)16-15-14(13-9-5-6-10-20(13)16)17(21)11-7-3-4-8-12(11)18(15)22/h3-10H,2H2,1H3
InChIKeyAEPCQNJYEUVRFI-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.89
Rot. Bonds2

About ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate

ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate (PubChem CID 12067041) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
PubChem CID12067041
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Nameethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
SMILESCCOC(=O)c1c2c(c3ccccn13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13NO4/c1-2-24-19(23)16-15-14(13-9-5-6-10-20(13)16)17(21)11-7-3-4-8-12(11)18(15)22/h3-10H,2H2,1H3
InChIKeyAEPCQNJYEUVRFI-UHFFFAOYSA-N
XLogP2.89
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 101076102
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
ethyl 14,21-dioxo-11-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1,3,5,7,12,15,17,19-octaene-12-carboxylate
CID 102363988
diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 2-(2,4-dichlorophenyl)-1-nitroindolizine-3-carboxylate
CID 50901568
ethyl 2-phenyl-1-[3-(2-phenylethynyl)quinoxalin-2-yl]indolizine-3-carboxylate
CID 132534752
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
CID 15632065
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate
CID 12569353

Frequently Asked Questions

What is the IUPAC name of ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The IUPAC name of ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate (CID 12067041) is ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate.
What is the SMILES notation for ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The canonical SMILES for ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate is CCOC(=O)c1c2c(c3ccccn13)C(=O)c1ccccc1C2=O.
What is the InChIKey of ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The InChIKey is AEPCQNJYEUVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-14(13-9-5-6-10-20(13)16)17(21)11-7-3-4-8-12(11)18(15)22/h3-10H,2H2,1H3.
What are the key properties of ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate is sourced from PubChem (CID 12067041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).