ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate

C14H13NO4 — CID 621106

IUPACethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n2ccccc12
InChIInChI=1S/C14H13NO4/c1-3-19-14(18)11-8-10(9(2)16)13(17)15-7-5-4-6-12(11)15/h4-8H,3H2,1-2H3
InChIKeyCLCHBEUWFMNGTA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.68
Rot. Bonds3

About ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate

ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate (PubChem CID 621106) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
PubChem CID621106
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Nameethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n2ccccc12
InChIInChI=1S/C14H13NO4/c1-3-19-14(18)11-8-10(9(2)16)13(17)15-7-5-4-6-12(11)15/h4-8H,3H2,1-2H3
InChIKeyCLCHBEUWFMNGTA-UHFFFAOYSA-N
XLogP1.68
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
CID 15632065
ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
CID 600176
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate (CID 621106) is ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1cc(C(C)=O)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate?
The InChIKey is CLCHBEUWFMNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-3-19-14(18)11-8-10(9(2)16)13(17)15-7-5-4-6-12(11)15/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate?
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).