4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine

C11H10ClFN2 — CID 125425900

IUPAC4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
SMILESCc1cnc2c(N)c(C)c(F)cc2c1Cl
InChIInChI=1S/C11H10ClFN2/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,14H2,1-2H3
InChIKeyOQJKLEUKBDANGJ-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.23
Rot. Bonds

About 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine

4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine (PubChem CID 125425900) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine.

Molecular Properties

Compound Name4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
PubChem CID125425900
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
SMILESCc1cnc2c(N)c(C)c(F)cc2c1Cl
InChIInChI=1S/C11H10ClFN2/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,14H2,1-2H3
InChIKeyOQJKLEUKBDANGJ-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine?
The IUPAC name of 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine (CID 125425900) is 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine.
What is the SMILES notation for 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine?
The canonical SMILES for 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine is Cc1cnc2c(N)c(C)c(F)cc2c1Cl.
What is the InChIKey of 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine?
The InChIKey is OQJKLEUKBDANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,14H2,1-2H3.
What are the key properties of 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine?
4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine has a molecular weight of 224.67 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine is sourced from PubChem (CID 125425900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).