4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid

C22H16N2O3 — CID 45279631

IUPAC4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-c3ccccn3)cc2)c2ccccn2c1=O
InChIInChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-17(20-6-2-4-12-24(20)21)13-15-7-9-16(10-8-15)19-5-1-3-11-23-19/h1-12,14H,13H2,(H,26,27)
InChIKeyYIIDWEXSVGVSEH-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.65
Rot. Bonds4

About 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid

4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid (PubChem CID 45279631) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid
PubChem CID45279631
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-c3ccccn3)cc2)c2ccccn2c1=O
InChIInChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-17(20-6-2-4-12-24(20)21)13-15-7-9-16(10-8-15)19-5-1-3-11-23-19/h1-12,14H,13H2,(H,26,27)
InChIKeyYIIDWEXSVGVSEH-UHFFFAOYSA-N
XLogP3.65
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid (CID 45279631) is 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(Cc2ccc(-c3ccccn3)cc2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is YIIDWEXSVGVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-17(20-6-2-4-12-24(20)21)13-15-7-9-16(10-8-15)19-5-1-3-11-23-19/h1-12,14H,13H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-pyridin-2-ylphenyl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 45279631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).