3-N-(4-methylphenyl)quinoxaline-2,3-diamine

C15H14N4 — CID 102985247

IUPAC3-N-(4-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2N)cc1
InChIInChI=1S/C15H14N4/c1-10-6-8-11(9-7-10)17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H2,16,18)(H,17,19)
InChIKeyPYHAMHWGQXXEMZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.26
Rot. Bonds2

About 3-N-(4-methylphenyl)quinoxaline-2,3-diamine

3-N-(4-methylphenyl)quinoxaline-2,3-diamine (PubChem CID 102985247) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-N-(4-methylphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-methylphenyl)quinoxaline-2,3-diamine
PubChem CID102985247
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-N-(4-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2N)cc1
InChIInChI=1S/C15H14N4/c1-10-6-8-11(9-7-10)17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H2,16,18)(H,17,19)
InChIKeyPYHAMHWGQXXEMZ-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

N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
CID 102986205
5-(1,3-benzothiazol-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
CID 3654738
3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
CID 145495657
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
N-(4-iodophenyl)-3-methylquinoxalin-2-amine
CID 14937972
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(4-methylphenyl)quinoxaline-2,3-diamine (CID 102985247) is 3-N-(4-methylphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(4-methylphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(4-methylphenyl)quinoxaline-2,3-diamine is Cc1ccc(Nc2nc3ccccc3nc2N)cc1.
What is the InChIKey of 3-N-(4-methylphenyl)quinoxaline-2,3-diamine?
The InChIKey is PYHAMHWGQXXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-6-8-11(9-7-10)17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-N-(4-methylphenyl)quinoxaline-2,3-diamine?
3-N-(4-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-(4-methylphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102985247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).