7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine

C15H13FN4 — CID 169091246

IUPAC7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine
SMILESCNc1cnc2ccc(-c3cnc(F)c(C)c3)cc2n1
InChIInChI=1S/C15H13FN4/c1-9-5-11(7-19-15(9)16)10-3-4-12-13(6-10)20-14(17-2)8-18-12/h3-8H,1-2H3,(H,17,20)
InChIKeyQNJUISGPCWBVEB-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.18
Rot. Bonds2

About 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine

7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine (PubChem CID 169091246) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound Name7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine
PubChem CID169091246
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine
SMILESCNc1cnc2ccc(-c3cnc(F)c(C)c3)cc2n1
InChIInChI=1S/C15H13FN4/c1-9-5-11(7-19-15(9)16)10-3-4-12-13(6-10)20-14(17-2)8-18-12/h3-8H,1-2H3,(H,17,20)
InChIKeyQNJUISGPCWBVEB-UHFFFAOYSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine?
The IUPAC name of 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine (CID 169091246) is 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine is CNc1cnc2ccc(-c3cnc(F)c(C)c3)cc2n1.
What is the InChIKey of 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine?
The InChIKey is QNJUISGPCWBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-9-5-11(7-19-15(9)16)10-3-4-12-13(6-10)20-14(17-2)8-18-12/h3-8H,1-2H3,(H,17,20).
What are the key properties of 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine?
7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine has a molecular weight of 268.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 169091246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).