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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Related Compounds

3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
CID 102986205
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965

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).