3-ethyl-7-fluoro-6-methylquinolin-2-amine

C12H13FN2 — CID 112674484

IUPAC3-ethyl-7-fluoro-6-methylquinolin-2-amine
SMILESCCc1cc2cc(C)c(F)cc2nc1N
InChIInChI=1S/C12H13FN2/c1-3-8-5-9-4-7(2)10(13)6-11(9)15-12(8)14/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyKHGWGUBEOCMRKZ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.83
Rot. Bonds1

About 3-ethyl-7-fluoro-6-methylquinolin-2-amine

3-ethyl-7-fluoro-6-methylquinolin-2-amine (PubChem CID 112674484) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-ethyl-7-fluoro-6-methylquinolin-2-amine.

Molecular Properties

Compound Name3-ethyl-7-fluoro-6-methylquinolin-2-amine
PubChem CID112674484
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-ethyl-7-fluoro-6-methylquinolin-2-amine
SMILESCCc1cc2cc(C)c(F)cc2nc1N
InChIInChI=1S/C12H13FN2/c1-3-8-5-9-4-7(2)10(13)6-11(9)15-12(8)14/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyKHGWGUBEOCMRKZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-7-fluoro-6-methylquinolin-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 3-ethyl-7-fluoro-6-methylquinolin-2-amine?
The IUPAC name of 3-ethyl-7-fluoro-6-methylquinolin-2-amine (CID 112674484) is 3-ethyl-7-fluoro-6-methylquinolin-2-amine.
What is the SMILES notation for 3-ethyl-7-fluoro-6-methylquinolin-2-amine?
The canonical SMILES for 3-ethyl-7-fluoro-6-methylquinolin-2-amine is CCc1cc2cc(C)c(F)cc2nc1N.
What is the InChIKey of 3-ethyl-7-fluoro-6-methylquinolin-2-amine?
The InChIKey is KHGWGUBEOCMRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-3-8-5-9-4-7(2)10(13)6-11(9)15-12(8)14/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 3-ethyl-7-fluoro-6-methylquinolin-2-amine?
3-ethyl-7-fluoro-6-methylquinolin-2-amine has a molecular weight of 204.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-fluoro-6-methylquinolin-2-amine is sourced from PubChem (CID 112674484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).