1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid

C13H11NO5 — CID 621509

IUPAC1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)c(=O)n2ccccc12
InChIInChI=1S/C13H11NO5/c1-2-19-13(18)8-7-9(12(16)17)11(15)14-6-4-3-5-10(8)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyLIUUGIAVOIOGBV-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.17
Rot. Bonds3

About 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid

1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 621509) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID621509
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)c(=O)n2ccccc12
InChIInChI=1S/C13H11NO5/c1-2-19-13(18)8-7-9(12(16)17)11(15)14-6-4-3-5-10(8)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyLIUUGIAVOIOGBV-UHFFFAOYSA-N
XLogP1.17
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid (CID 621509) is 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid is CCOC(=O)c1cc(C(=O)O)c(=O)n2ccccc12.
What is the InChIKey of 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is LIUUGIAVOIOGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-2-19-13(18)8-7-9(12(16)17)11(15)14-6-4-3-5-10(8)14/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid?
1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 621509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).