5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline

C16H15N3O2 — CID 62375214

IUPAC5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCOc1ccc(Oc2nc3ccccc3nc2C)c(N)c1
InChIInChI=1S/C16H15N3O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,17H2,1-2H3
InChIKeyNSNXBKHIONZEQW-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.32
Rot. Bonds3

About 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline

5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline (PubChem CID 62375214) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline.

Molecular Properties

Compound Name5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
PubChem CID62375214
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCOc1ccc(Oc2nc3ccccc3nc2C)c(N)c1
InChIInChI=1S/C16H15N3O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,17H2,1-2H3
InChIKeyNSNXBKHIONZEQW-UHFFFAOYSA-N
XLogP3.32
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline?
The IUPAC name of 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline (CID 62375214) is 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline.
What is the SMILES notation for 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline?
The canonical SMILES for 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline is COc1ccc(Oc2nc3ccccc3nc2C)c(N)c1.
What is the InChIKey of 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline?
The InChIKey is NSNXBKHIONZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,17H2,1-2H3.
What are the key properties of 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline?
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline has a molecular weight of 281.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline is sourced from PubChem (CID 62375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).