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

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Related Compounds

8-Chloroquinoline
CID 69139
4-Chloroquinoline
CID 69140
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 2c
CID 5330482
4-Quinolinamine, 7-chloro-N-[3-[[(1,1-dimethylethyl)amino]methyl]-4-fluorophenyl]-
CID 9820134
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294
8-Chloro-4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 17758358
N-benzyl-7-chloroquinolin-4-amine
CID 4798096
4'-Dehydroxy-4'-fluoroamodiaquine
CID 9975633
4-(4-Aminobutyl)amino-7-chloroquinoline
CID 11770817
4-Amino-8-chloroquinoline
CID 12292890

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).