1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine

C16H13ClFN3 — CID 67512321

IUPAC1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine
SMILESCC(N)c1cnc2c(Cl)cc(F)cc2c1-c1ccccn1
InChIInChI=1S/C16H13ClFN3/c1-9(19)12-8-21-16-11(6-10(18)7-13(16)17)15(12)14-4-2-3-5-20-14/h2-9H,19H2,1H3
InChIKeyGQHBYKLVEBAGIC-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.11
Rot. Bonds2

About 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine

1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine (PubChem CID 67512321) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine
PubChem CID67512321
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine
SMILESCC(N)c1cnc2c(Cl)cc(F)cc2c1-c1ccccn1
InChIInChI=1S/C16H13ClFN3/c1-9(19)12-8-21-16-11(6-10(18)7-13(16)17)15(12)14-4-2-3-5-20-14/h2-9H,19H2,1H3
InChIKeyGQHBYKLVEBAGIC-UHFFFAOYSA-N
XLogP4.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine 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 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine?
The IUPAC name of 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine (CID 67512321) is 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine.
What is the SMILES notation for 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine?
The canonical SMILES for 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine is CC(N)c1cnc2c(Cl)cc(F)cc2c1-c1ccccn1.
What is the InChIKey of 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine?
The InChIKey is GQHBYKLVEBAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9(19)12-8-21-16-11(6-10(18)7-13(16)17)15(12)14-4-2-3-5-20-14/h2-9H,19H2,1H3.
What are the key properties of 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine?
1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine has a molecular weight of 301.75 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine is sourced from PubChem (CID 67512321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).