2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline

C16H11Cl2FN2 — CID 83078319

IUPAC2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2/c17-13-7-11(19)8-14(18)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2
InChIKeySBIXQZTYRGIINW-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.29
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline (PubChem CID 83078319) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
PubChem CID83078319
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2/c17-13-7-11(19)8-14(18)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2
InChIKeySBIXQZTYRGIINW-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.18
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline 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 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline (CID 83078319) is 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline is Fc1cc(Cl)c(NCc2ccnc3ccccc23)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is SBIXQZTYRGIINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c17-13-7-11(19)8-14(18)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 321.18 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 83078319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).