2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid

C20H13N3O2 — CID 86718111

IUPAC2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1
InChIInChI=1S/C20H13N3O2/c24-20(25)15-6-7-16-17(12-15)23-19(14-8-10-21-11-9-14)18(22-16)13-4-2-1-3-5-13/h1-12H,(H,24,25)
InChIKeyWMBQLFTZMJRTJZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.06
Rot. Bonds3

About 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid

2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid (PubChem CID 86718111) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid
PubChem CID86718111
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1
InChIInChI=1S/C20H13N3O2/c24-20(25)15-6-7-16-17(12-15)23-19(14-8-10-21-11-9-14)18(22-16)13-4-2-1-3-5-13/h1-12H,(H,24,25)
InChIKeyWMBQLFTZMJRTJZ-UHFFFAOYSA-N
XLogP4.06
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid (CID 86718111) is 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1.
What is the InChIKey of 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid?
The InChIKey is WMBQLFTZMJRTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-20(25)15-6-7-16-17(12-15)23-19(14-8-10-21-11-9-14)18(22-16)13-4-2-1-3-5-13/h1-12H,(H,24,25).
What are the key properties of 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid?
2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyridin-4-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 86718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).