N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine

C16H15FN4 — CID 104738240

IUPACN-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2nccnc2c1)c1ccncc1F
InChIInChI=1S/C16H15FN4/c1-2-19-16(12-5-6-18-10-13(12)17)11-3-4-14-15(9-11)21-8-7-20-14/h3-10,16,19H,2H2,1H3
InChIKeyZZMCNBCWNGLEKT-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.86
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine (PubChem CID 104738240) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
PubChem CID104738240
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2nccnc2c1)c1ccncc1F
InChIInChI=1S/C16H15FN4/c1-2-19-16(12-5-6-18-10-13(12)17)11-3-4-14-15(9-11)21-8-7-20-14/h3-10,16,19H,2H2,1H3
InChIKeyZZMCNBCWNGLEKT-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine 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

N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine (CID 104738240) is N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine is CCNC(c1ccc2nccnc2c1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine?
The InChIKey is ZZMCNBCWNGLEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-2-19-16(12-5-6-18-10-13(12)17)11-3-4-14-15(9-11)21-8-7-20-14/h3-10,16,19H,2H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine has a molecular weight of 282.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine is sourced from PubChem (CID 104738240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).