3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline

C15H12FN3O — CID 62375219

IUPAC3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2ccccc2nc1Oc1ccc(N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-15(19-13-5-3-2-4-12(13)18-9)20-14-7-6-10(17)8-11(14)16/h2-8H,17H2,1H3
InChIKeyHKQVFKIUHPOLDW-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.45
Rot. Bonds2

About 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline

3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline (PubChem CID 62375219) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
PubChem CID62375219
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1nc2ccccc2nc1Oc1ccc(N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-15(19-13-5-3-2-4-12(13)18-9)20-14-7-6-10(17)8-11(14)16/h2-8H,17H2,1H3
InChIKeyHKQVFKIUHPOLDW-UHFFFAOYSA-N
XLogP3.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline (CID 62375219) is 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline is Cc1nc2ccccc2nc1Oc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline?
The InChIKey is HKQVFKIUHPOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-15(19-13-5-3-2-4-12(13)18-9)20-14-7-6-10(17)8-11(14)16/h2-8H,17H2,1H3.
What are the key properties of 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline?
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline has a molecular weight of 269.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline is sourced from PubChem (CID 62375219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).