4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid

C20H20N4O3 — CID 70694487

IUPAC4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccncc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C20H20N4O3/c25-19-17(20(26)27)13-15(18-3-1-2-8-24(18)19)14-22-9-11-23(12-10-22)16-4-6-21-7-5-16/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyZIOKDFIGZMMNDZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.71
Rot. Bonds4

About 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid

4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (PubChem CID 70694487) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
PubChem CID70694487
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccncc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C20H20N4O3/c25-19-17(20(26)27)13-15(18-3-1-2-8-24(18)19)14-22-9-11-23(12-10-22)16-4-6-21-7-5-16/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyZIOKDFIGZMMNDZ-UHFFFAOYSA-N
XLogP1.71
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (CID 70694487) is 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCN(c3ccncc3)CC2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is ZIOKDFIGZMMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19-17(20(26)27)13-15(18-3-1-2-8-24(18)19)14-22-9-11-23(12-10-22)16-4-6-21-7-5-16/h1-8,13H,9-12,14H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 70694487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).