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

C21H21N3O3 — CID 70696545

IUPAC4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccccc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C21H21N3O3/c25-20-18(21(26)27)14-16(19-8-4-5-9-24(19)20)15-22-10-12-23(13-11-22)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2,(H,26,27)
InChIKeyAKBSQNJWMXFMHS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.32
Rot. Bonds4

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

4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (PubChem CID 70696545) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
PubChem CID70696545
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCN(c3ccccc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C21H21N3O3/c25-20-18(21(26)27)14-16(19-8-4-5-9-24(19)20)15-22-10-12-23(13-11-22)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2,(H,26,27)
InChIKeyAKBSQNJWMXFMHS-UHFFFAOYSA-N
XLogP2.32
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid (CID 70696545) is 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCN(c3ccccc3)CC2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is AKBSQNJWMXFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20-18(21(26)27)14-16(19-8-4-5-9-24(19)20)15-22-10-12-23(13-11-22)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 70696545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).