ethyl 4-oxoquinolizine-3-carboxylate

C12H11NO3 — CID 4615166

IUPACethyl 4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2ccccn2c1=O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h3-8H,2H2,1H3
InChIKeyGBDJVIYRDRPISB-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.48
Rot. Bonds2

About ethyl 4-oxoquinolizine-3-carboxylate

ethyl 4-oxoquinolizine-3-carboxylate (PubChem CID 4615166) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxoquinolizine-3-carboxylate
PubChem CID4615166
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2ccccn2c1=O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h3-8H,2H2,1H3
InChIKeyGBDJVIYRDRPISB-UHFFFAOYSA-N
XLogP1.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-amino-4-oxoquinolizine-3-carboxylate
CID 20634156
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 6-chloro-4-oxoquinolizine-3-carboxylate
CID 163320844
ethyl 8-azido-4-oxoquinolizine-3-carboxylate
CID 20634157
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 7-[bromo(dimethylamino)methyl]-4-oxoquinolizine-3-carboxylate
CID 146264603
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
CID 15632065
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 7,14-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene-5-carboxylate
CID 141027065
ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 4-oxoquinolizine-3-carboxylate (CID 4615166) is ethyl 4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 4-oxoquinolizine-3-carboxylate is CCOC(=O)c1ccc2ccccn2c1=O.
What is the InChIKey of ethyl 4-oxoquinolizine-3-carboxylate?
The InChIKey is GBDJVIYRDRPISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-oxoquinolizine-3-carboxylate?
ethyl 4-oxoquinolizine-3-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 4615166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).