4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid

C17H12N2O3 — CID 20531114

IUPAC4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(/C=C/c3ccccc3)cc(=O)n2c1
InChIInChI=1S/C17H12N2O3/c20-16-10-14(8-6-12-4-2-1-3-5-12)18-15-9-7-13(17(21)22)11-19(15)16/h1-11H,(H,21,22)/b8-6+
InChIKeyGYELGGWGTBIBIX-SOFGYWHQSA-N
MW292.29 g/mol
LogP2.56
Rot. Bonds3

About 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid

4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 20531114) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID20531114
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(/C=C/c3ccccc3)cc(=O)n2c1
InChIInChI=1S/C17H12N2O3/c20-16-10-14(8-6-12-4-2-1-3-5-12)18-15-9-7-13(17(21)22)11-19(15)16/h1-11H,(H,21,22)/b8-6+
InChIKeyGYELGGWGTBIBIX-SOFGYWHQSA-N
XLogP2.56
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 20531114) is 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid is O=C(O)c1ccc2nc(/C=C/c3ccccc3)cc(=O)n2c1.
What is the InChIKey of 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is GYELGGWGTBIBIX-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16-10-14(8-6-12-4-2-1-3-5-12)18-15-9-7-13(17(21)22)11-19(15)16/h1-11H,(H,21,22)/b8-6+.
What are the key properties of 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid?
4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 20531114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).