3-N-(2-methylphenyl)quinoxaline-2,3-diamine

C15H14N4 — CID 102985280

IUPAC3-N-(2-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccccc1Nc1nc2ccccc2nc1N
InChIInChI=1S/C15H14N4/c1-10-6-2-3-7-11(10)18-15-14(16)17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H2,16,17)(H,18,19)
InChIKeyJGVDCVMJKBXASP-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.26
Rot. Bonds2

About 3-N-(2-methylphenyl)quinoxaline-2,3-diamine

3-N-(2-methylphenyl)quinoxaline-2,3-diamine (PubChem CID 102985280) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-N-(2-methylphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylphenyl)quinoxaline-2,3-diamine
PubChem CID102985280
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-N-(2-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccccc1Nc1nc2ccccc2nc1N
InChIInChI=1S/C15H14N4/c1-10-6-2-3-7-11(10)18-15-14(16)17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H2,16,17)(H,18,19)
InChIKeyJGVDCVMJKBXASP-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-methylphenyl)quinoxaline-2,3-diamine (CID 102985280) is 3-N-(2-methylphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-methylphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-methylphenyl)quinoxaline-2,3-diamine is Cc1ccccc1Nc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(2-methylphenyl)quinoxaline-2,3-diamine?
The InChIKey is JGVDCVMJKBXASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-6-2-3-7-11(10)18-15-14(16)17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 3-N-(2-methylphenyl)quinoxaline-2,3-diamine?
3-N-(2-methylphenyl)quinoxaline-2,3-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102985280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).