2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid

C11H14N2O3 — CID 83890529

IUPAC2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCCc1cc(=O)n2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C11H14N2O3/c1-2-7-6-9(14)13-5-3-4-8(11(15)16)10(13)12-7/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyGGZQJJSJBBAOMH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.77
Rot. Bonds2

About 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid

2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (PubChem CID 83890529) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
PubChem CID83890529
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCCc1cc(=O)n2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C11H14N2O3/c1-2-7-6-9(14)13-5-3-4-8(11(15)16)10(13)12-7/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyGGZQJJSJBBAOMH-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The IUPAC name of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (CID 83890529) is 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The canonical SMILES for 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is CCc1cc(=O)n2c(n1)C(C(=O)O)CCC2.
What is the InChIKey of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The InChIKey is GGZQJJSJBBAOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-7-6-9(14)13-5-3-4-8(11(15)16)10(13)12-7/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is sourced from PubChem (CID 83890529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).