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

C11H14N2O3 — CID 83890527

IUPAC2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCc1cc(=O)n2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H14N2O3/c1-2-8-5-10(14)13-6-7(11(15)16)3-4-9(13)12-8/h5,7H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRZUXFGHFYIRIE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.45
Rot. Bonds2

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

2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 83890527) 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-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID83890527
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCc1cc(=O)n2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H14N2O3/c1-2-8-5-10(14)13-6-7(11(15)16)3-4-9(13)12-8/h5,7H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRZUXFGHFYIRIE-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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-7-carboxylic acid?
The IUPAC name of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 83890527) is 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid is CCc1cc(=O)n2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is FRZUXFGHFYIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-8-5-10(14)13-6-7(11(15)16)3-4-9(13)12-8/h5,7H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
2-ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.45, 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-7-carboxylic acid is sourced from PubChem (CID 83890527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).