2-methyl-3-phenylquinoxalin-6-amine

C15H13N3 — CID 58269830

IUPAC2-methyl-3-phenylquinoxalin-6-amine
SMILESCc1nc2ccc(N)cc2nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-10-15(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17-10/h2-9H,16H2,1H3
InChIKeyLOMIVQJULVEATF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.19
Rot. Bonds1

About 2-methyl-3-phenylquinoxalin-6-amine

2-methyl-3-phenylquinoxalin-6-amine (PubChem CID 58269830) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-3-phenylquinoxalin-6-amine.

Molecular Properties

Compound Name2-methyl-3-phenylquinoxalin-6-amine
PubChem CID58269830
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-methyl-3-phenylquinoxalin-6-amine
SMILESCc1nc2ccc(N)cc2nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-10-15(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17-10/h2-9H,16H2,1H3
InChIKeyLOMIVQJULVEATF-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylquinoxalin-6-amine?
The IUPAC name of 2-methyl-3-phenylquinoxalin-6-amine (CID 58269830) is 2-methyl-3-phenylquinoxalin-6-amine.
What is the SMILES notation for 2-methyl-3-phenylquinoxalin-6-amine?
The canonical SMILES for 2-methyl-3-phenylquinoxalin-6-amine is Cc1nc2ccc(N)cc2nc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylquinoxalin-6-amine?
The InChIKey is LOMIVQJULVEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-15(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17-10/h2-9H,16H2,1H3.
What are the key properties of 2-methyl-3-phenylquinoxalin-6-amine?
2-methyl-3-phenylquinoxalin-6-amine has a molecular weight of 235.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylquinoxalin-6-amine is sourced from PubChem (CID 58269830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).