3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine

C15H13FN4O — CID 141168476

IUPAC3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
SMILESCOc1cc(F)cc(Nc2nc3ccccc3nc2N)c1
InChIInChI=1S/C15H13FN4O/c1-21-11-7-9(16)6-10(8-11)18-15-14(17)19-12-4-2-3-5-13(12)20-15/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyKERFBMVYXPNNOA-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds3

About 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine

3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine (PubChem CID 141168476) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
PubChem CID141168476
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
SMILESCOc1cc(F)cc(Nc2nc3ccccc3nc2N)c1
InChIInChI=1S/C15H13FN4O/c1-21-11-7-9(16)6-10(8-11)18-15-14(17)19-12-4-2-3-5-13(12)20-15/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyKERFBMVYXPNNOA-UHFFFAOYSA-N
XLogP3.10
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine (CID 141168476) is 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine is COc1cc(F)cc(Nc2nc3ccccc3nc2N)c1.
What is the InChIKey of 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine?
The InChIKey is KERFBMVYXPNNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-11-7-9(16)6-10(8-11)18-15-14(17)19-12-4-2-3-5-13(12)20-15/h2-8H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine?
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine has a molecular weight of 284.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 141168476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).