2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane

C24H25N3 — CID 143079513

IUPAC2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane
SMILESCC.Cc1ccc(-c2nc3cccc(N)c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3.C2H6/c1-14-6-10-16(11-7-14)20-21(17-12-8-15(2)9-13-17)25-22-18(23)4-3-5-19(22)24-20;1-2/h3-13H,23H2,1-2H3;1-2H3
InChIKeyLMBYMFMAKDGZJD-UHFFFAOYSA-N
MW355.49 g/mol
LogP6.19
Rot. Bonds2

About 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane

2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane (PubChem CID 143079513) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane
PubChem CID143079513
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane
SMILESCC.Cc1ccc(-c2nc3cccc(N)c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3.C2H6/c1-14-6-10-16(11-7-14)20-21(17-12-8-15(2)9-13-17)25-22-18(23)4-3-5-19(22)24-20;1-2/h3-13H,23H2,1-2H3;1-2H3
InChIKeyLMBYMFMAKDGZJD-UHFFFAOYSA-N
XLogP6.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.19
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 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane?
The IUPAC name of 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane (CID 143079513) is 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane.
What is the SMILES notation for 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane?
The canonical SMILES for 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane is CC.Cc1ccc(-c2nc3cccc(N)c3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane?
The InChIKey is LMBYMFMAKDGZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3.C2H6/c1-14-6-10-16(11-7-14)20-21(17-12-8-15(2)9-13-17)25-22-18(23)4-3-5-19(22)24-20;1-2/h3-13H,23H2,1-2H3;1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane?
2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane has a molecular weight of 355.49 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane is sourced from PubChem (CID 143079513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).