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

C16H15FN4 — CID 102985857

IUPAC3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
SMILESCCN(c1cccc(F)c1)c1nc2ccccc2nc1N
InChIInChI=1S/C16H15FN4/c1-2-21(12-7-5-6-11(17)10-12)16-15(18)19-13-8-3-4-9-14(13)20-16/h3-10H,2H2,1H3,(H2,18,19)
InChIKeySZVCHODFSVEMOH-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.51
Rot. Bonds3

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

3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine (PubChem CID 102985857) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
PubChem CID102985857
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
SMILESCCN(c1cccc(F)c1)c1nc2ccccc2nc1N
InChIInChI=1S/C16H15FN4/c1-2-21(12-7-5-6-11(17)10-12)16-15(18)19-13-8-3-4-9-14(13)20-16/h3-10H,2H2,1H3,(H2,18,19)
InChIKeySZVCHODFSVEMOH-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

Analyze 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
3-(N-ethyl-3-fluoroanilino)pyridazine-4-carbothioamide
CID 80511154
6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947935
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
CID 115992583
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine (CID 102985857) is 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine is CCN(c1cccc(F)c1)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is SZVCHODFSVEMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-2-21(12-7-5-6-11(17)10-12)16-15(18)19-13-8-3-4-9-14(13)20-16/h3-10H,2H2,1H3,(H2,18,19).
What are the key properties of 3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine?
3-N-ethyl-3-N-(3-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-(3-fluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102985857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).