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

C16H15N3O — CID 62375215

IUPAC2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1cc(Oc2nc3ccccc3nc2C)ccc1N
InChIInChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)17)20-16-11(2)18-14-5-3-4-6-15(14)19-16/h3-9H,17H2,1-2H3
InChIKeyZTGRLEGODPUZTN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.62
Rot. Bonds2

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

2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline (PubChem CID 62375215) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline.

Molecular Properties

Compound Name2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
PubChem CID62375215
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
SMILESCc1cc(Oc2nc3ccccc3nc2C)ccc1N
InChIInChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)17)20-16-11(2)18-14-5-3-4-6-15(14)19-16/h3-9H,17H2,1-2H3
InChIKeyZTGRLEGODPUZTN-UHFFFAOYSA-N
XLogP3.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
CID 103204561
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
CID 163248709
4-(1,2-benzothiazol-3-yloxy)-2-methylaniline
CID 16772594
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
CID 80865775
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline?
The IUPAC name of 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline (CID 62375215) is 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline.
What is the SMILES notation for 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline?
The canonical SMILES for 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline is Cc1cc(Oc2nc3ccccc3nc2C)ccc1N.
What is the InChIKey of 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline?
The InChIKey is ZTGRLEGODPUZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)17)20-16-11(2)18-14-5-3-4-6-15(14)19-16/h3-9H,17H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline?
2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline has a molecular weight of 265.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline is sourced from PubChem (CID 62375215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).