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

C24H20FN5O2 — CID 50992208

IUPAC3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H20FN5O2/c25-18-7-4-16(5-8-18)22-23(28-19-9-6-17(24(31)32)15-20(19)27-22)30-13-11-29(12-14-30)21-3-1-2-10-26-21/h1-10,15H,11-14H2,(H,31,32)
InChIKeyKPDGUUJODHKQHI-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.86
Rot. Bonds4

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

3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 50992208) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID50992208
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H20FN5O2/c25-18-7-4-16(5-8-18)22-23(28-19-9-6-17(24(31)32)15-20(19)27-22)30-13-11-29(12-14-30)21-3-1-2-10-26-21/h1-10,15H,11-14H2,(H,31,32)
InChIKeyKPDGUUJODHKQHI-UHFFFAOYSA-N
XLogP3.86
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (CID 50992208) is 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is KPDGUUJODHKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-18-7-4-16(5-8-18)22-23(28-19-9-6-17(24(31)32)15-20(19)27-22)30-13-11-29(12-14-30)21-3-1-2-10-26-21/h1-10,15H,11-14H2,(H,31,32).
What are the key properties of 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 429.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).