4-(8-amino-3-phenylquinoxalin-2-yl)phenol

C20H15N3O — CID 141415206

IUPAC4-(8-amino-3-phenylquinoxalin-2-yl)phenol
SMILESNc1cccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C20H15N3O/c21-16-7-4-8-17-20(16)23-19(14-9-11-15(24)12-10-14)18(22-17)13-5-2-1-3-6-13/h1-12,24H,21H2
InChIKeyPYLCHNLHHNJAJF-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.25
Rot. Bonds2

About 4-(8-amino-3-phenylquinoxalin-2-yl)phenol

4-(8-amino-3-phenylquinoxalin-2-yl)phenol (PubChem CID 141415206) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(8-amino-3-phenylquinoxalin-2-yl)phenol.

Molecular Properties

Compound Name4-(8-amino-3-phenylquinoxalin-2-yl)phenol
PubChem CID141415206
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(8-amino-3-phenylquinoxalin-2-yl)phenol
SMILESNc1cccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C20H15N3O/c21-16-7-4-8-17-20(16)23-19(14-9-11-15(24)12-10-14)18(22-17)13-5-2-1-3-6-13/h1-12,24H,21H2
InChIKeyPYLCHNLHHNJAJF-UHFFFAOYSA-N
XLogP4.25
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-3-phenylquinoxalin-2-yl)phenol?
The IUPAC name of 4-(8-amino-3-phenylquinoxalin-2-yl)phenol (CID 141415206) is 4-(8-amino-3-phenylquinoxalin-2-yl)phenol.
What is the SMILES notation for 4-(8-amino-3-phenylquinoxalin-2-yl)phenol?
The canonical SMILES for 4-(8-amino-3-phenylquinoxalin-2-yl)phenol is Nc1cccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-(8-amino-3-phenylquinoxalin-2-yl)phenol?
The InChIKey is PYLCHNLHHNJAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-16-7-4-8-17-20(16)23-19(14-9-11-15(24)12-10-14)18(22-17)13-5-2-1-3-6-13/h1-12,24H,21H2.
What are the key properties of 4-(8-amino-3-phenylquinoxalin-2-yl)phenol?
4-(8-amino-3-phenylquinoxalin-2-yl)phenol has a molecular weight of 313.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-3-phenylquinoxalin-2-yl)phenol is sourced from PubChem (CID 141415206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).