3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine

C15H13FN4 — CID 102983663

IUPAC3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCc1cccc(F)c1
InChIInChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-15-14(17)19-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyLCTYKAXQICQJLB-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.96
Rot. Bonds3

About 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine

3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine (PubChem CID 102983663) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
PubChem CID102983663
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCc1cccc(F)c1
InChIInChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-15-14(17)19-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyLCTYKAXQICQJLB-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[(3-fluorophenyl)methyl]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

3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
4-[[(3-aminoquinoxalin-2-yl)amino]methyl]benzonitrile
CID 102983794
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
CID 14022412
2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886857
3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
CID 47001610
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 118239615
4-N-[(3-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80771132
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
3-N-[(4-bromothiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984548

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine (CID 102983663) is 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCc1cccc(F)c1.
What is the InChIKey of 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine?
The InChIKey is LCTYKAXQICQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-15-14(17)19-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H2,17,19)(H,18,20).
What are the key properties of 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine?
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine has a molecular weight of 268.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102983663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).