3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine

C16H15FN4 — CID 102985770

IUPAC3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
SMILESCCN(c1ccccc1F)c1nc2ccccc2nc1N
InChIInChI=1S/C16H15FN4/c1-2-21(14-10-6-3-7-11(14)17)16-15(18)19-12-8-4-5-9-13(12)20-16/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyFVDOEAPXHKFUOW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.51
Rot. Bonds3

About 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine

3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine (PubChem CID 102985770) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
PubChem CID102985770
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
SMILESCCN(c1ccccc1F)c1nc2ccccc2nc1N
InChIInChI=1S/C16H15FN4/c1-2-21(14-10-6-3-7-11(14)17)16-15(18)19-12-8-4-5-9-13(12)20-16/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyFVDOEAPXHKFUOW-UHFFFAOYSA-N
XLogP3.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984714
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
CID 63023431
8-N-ethyl-8-N-(2-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80817464
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
CID 102986988
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine (CID 102985770) is 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine is CCN(c1ccccc1F)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is FVDOEAPXHKFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-2-21(14-10-6-3-7-11(14)17)16-15(18)19-12-8-4-5-9-13(12)20-16/h3-10H,2H2,1H3,(H2,18,19).
What are the key properties of 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine?
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102985770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).