2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid

C23H19N3O2 — CID 50992396

IUPAC2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C23H19N3O2/c27-23(28)18-11-12-19-20(15-18)26-22(21(25-19)17-9-5-2-6-10-17)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,24,26)(H,27,28)
InChIKeyHTVPAGXKVGAZQE-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.65
Rot. Bonds6

About 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid

2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid (PubChem CID 50992396) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid
PubChem CID50992396
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C23H19N3O2/c27-23(28)18-11-12-19-20(15-18)26-22(21(25-19)17-9-5-2-6-10-17)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,24,26)(H,27,28)
InChIKeyHTVPAGXKVGAZQE-UHFFFAOYSA-N
XLogP4.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid (CID 50992396) is 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1.
What is the InChIKey of 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid?
The InChIKey is HTVPAGXKVGAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(28)18-11-12-19-20(15-18)26-22(21(25-19)17-9-5-2-6-10-17)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,24,26)(H,27,28).
What are the key properties of 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid?
2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).