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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Related Compounds

6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Trimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
CID 628301
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
6,11-Dioxonaphtho[2,3-b]indolizine-12-carboxylic acid
CID 261602
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
5,10-Dioxo-5,10-dihydro-6-[2-(trifluoroacetylamino)phenyl]pyrido[3,2-g]quinoline-3-carboxylic acid ethyl ester
CID 11102727
2-Pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188471
2-Piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188472
2-Morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188473
3-Piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188474

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).