8-fluoro-N,3,6-trimethylquinolin-2-amine

C12H13FN2 — CID 63231724

IUPAC8-fluoro-N,3,6-trimethylquinolin-2-amine
SMILESCNc1nc2c(F)cc(C)cc2cc1C
InChIInChI=1S/C12H13FN2/c1-7-4-9-6-8(2)12(14-3)15-11(9)10(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyABRVQKRFQVEGNQ-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.03
Rot. Bonds1

About 8-fluoro-N,3,6-trimethylquinolin-2-amine

8-fluoro-N,3,6-trimethylquinolin-2-amine (PubChem CID 63231724) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 8-fluoro-N,3,6-trimethylquinolin-2-amine.

Molecular Properties

Compound Name8-fluoro-N,3,6-trimethylquinolin-2-amine
PubChem CID63231724
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name8-fluoro-N,3,6-trimethylquinolin-2-amine
SMILESCNc1nc2c(F)cc(C)cc2cc1C
InChIInChI=1S/C12H13FN2/c1-7-4-9-6-8(2)12(14-3)15-11(9)10(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyABRVQKRFQVEGNQ-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-N,3,6-trimethylquinolin-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 8-fluoro-N,3,6-trimethylquinolin-2-amine?
The IUPAC name of 8-fluoro-N,3,6-trimethylquinolin-2-amine (CID 63231724) is 8-fluoro-N,3,6-trimethylquinolin-2-amine.
What is the SMILES notation for 8-fluoro-N,3,6-trimethylquinolin-2-amine?
The canonical SMILES for 8-fluoro-N,3,6-trimethylquinolin-2-amine is CNc1nc2c(F)cc(C)cc2cc1C.
What is the InChIKey of 8-fluoro-N,3,6-trimethylquinolin-2-amine?
The InChIKey is ABRVQKRFQVEGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-7-4-9-6-8(2)12(14-3)15-11(9)10(13)5-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of 8-fluoro-N,3,6-trimethylquinolin-2-amine?
8-fluoro-N,3,6-trimethylquinolin-2-amine has a molecular weight of 204.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,3,6-trimethylquinolin-2-amine is sourced from PubChem (CID 63231724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).