3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid

C17H15N3O2 — CID 52932001

IUPAC3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)
InChIKeyZQJUOYPIXFFTJE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.39
Rot. Bonds5

About 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid

3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid (PubChem CID 52932001) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid
PubChem CID52932001
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)
InChIKeyZQJUOYPIXFFTJE-UHFFFAOYSA-N
XLogP3.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid (CID 52932001) is 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid is O=C(O)CCc1cccc(Nc2cnc3ccccc3n2)c1.
What is the InChIKey of 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid?
The InChIKey is ZQJUOYPIXFFTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid?
3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid has a molecular weight of 293.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(quinoxalin-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 52932001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).