2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline

C16H12Cl2N2 — CID 104503929

IUPAC2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1cncc2ccccc12
InChIInChI=1S/C16H12Cl2N2/c17-14-6-3-7-15(18)16(14)20-10-12-9-19-8-11-4-1-2-5-13(11)12/h1-9,20H,10H2
InChIKeyXIESDEUHENUILN-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.15
Rot. Bonds3

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

2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline (PubChem CID 104503929) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
PubChem CID104503929
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1cncc2ccccc12
InChIInChI=1S/C16H12Cl2N2/c17-14-6-3-7-15(18)16(14)20-10-12-9-19-8-11-4-1-2-5-13(11)12/h1-9,20H,10H2
InChIKeyXIESDEUHENUILN-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-(isoquinolin-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

Related Compounds

2,6-dichloro-4-fluoro-N-(isoquinolin-4-ylmethyl)aniline
CID 104504008
4-bromo-2-chloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503841
4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
CID 28993216
N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine
CID 107649727
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
N-(isoquinolin-4-ylmethyl)quinolin-4-amine
CID 174877636
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
2-(4-chlorophenyl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748173
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline (CID 104503929) is 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline is Clc1cccc(Cl)c1NCc1cncc2ccccc12.
What is the InChIKey of 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline?
The InChIKey is XIESDEUHENUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-14-6-3-7-15(18)16(14)20-10-12-9-19-8-11-4-1-2-5-13(11)12/h1-9,20H,10H2.
What are the key properties of 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline?
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline has a molecular weight of 303.19 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline is sourced from PubChem (CID 104503929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).