2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid

C24H21N5O2 — CID 67041958

IUPAC2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C24H21N5O2/c30-24(31)18-9-10-19-20(16-18)27-23(22(26-19)17-6-2-1-3-7-17)29-14-12-28(13-15-29)21-8-4-5-11-25-21/h1-11,16H,12-15H2,(H,30,31)
InChIKeyJZRLQKWCGIHMFP-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.72
Rot. Bonds4

About 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid

2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 67041958) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID67041958
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C24H21N5O2/c30-24(31)18-9-10-19-20(16-18)27-23(22(26-19)17-6-2-1-3-7-17)29-14-12-28(13-15-29)21-8-4-5-11-25-21/h1-11,16H,12-15H2,(H,30,31)
InChIKeyJZRLQKWCGIHMFP-UHFFFAOYSA-N
XLogP3.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-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 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (CID 67041958) is 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccn4)CC3)nc2c1.
What is the InChIKey of 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is JZRLQKWCGIHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-24(31)18-9-10-19-20(16-18)27-23(22(26-19)17-6-2-1-3-7-17)29-14-12-28(13-15-29)21-8-4-5-11-25-21/h1-11,16H,12-15H2,(H,30,31).
What are the key properties of 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 411.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).