8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine

C11H10ClFN2 — CID 107531295

IUPAC8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine
SMILESCNc1cc(C)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C11H10ClFN2/c1-6-5-9(14-2)10-8(13)4-3-7(12)11(10)15-6/h3-5H,1-2H3,(H,14,15)
InChIKeyWNDHUFOHVRGZJV-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.38
Rot. Bonds1

About 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine

8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine (PubChem CID 107531295) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine
PubChem CID107531295
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine
SMILESCNc1cc(C)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C11H10ClFN2/c1-6-5-9(14-2)10-8(13)4-3-7(12)11(10)15-6/h3-5H,1-2H3,(H,14,15)
InChIKeyWNDHUFOHVRGZJV-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine?
The IUPAC name of 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine (CID 107531295) is 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine?
The canonical SMILES for 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine is CNc1cc(C)nc2c(Cl)ccc(F)c12.
What is the InChIKey of 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine?
The InChIKey is WNDHUFOHVRGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-6-5-9(14-2)10-8(13)4-3-7(12)11(10)15-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine?
8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine has a molecular weight of 224.67 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 107531295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).