7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine

C20H14ClN3 — CID 57410240

IUPAC7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine
SMILESClc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1
InChIInChI=1S/C20H14ClN3/c21-18-6-2-1-5-17(18)15-9-8-14-12-20(23-13-16(14)11-15)24-19-7-3-4-10-22-19/h1-13H,(H,22,23,24)
InChIKeyMQVZNVRBLROWNA-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.69
Rot. Bonds3

About 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine

7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine (PubChem CID 57410240) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine
PubChem CID57410240
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine
SMILESClc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1
InChIInChI=1S/C20H14ClN3/c21-18-6-2-1-5-17(18)15-9-8-14-12-20(23-13-16(14)11-15)24-19-7-3-4-10-22-19/h1-13H,(H,22,23,24)
InChIKeyMQVZNVRBLROWNA-UHFFFAOYSA-N
XLogP5.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine 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 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine?
The IUPAC name of 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine (CID 57410240) is 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine?
The canonical SMILES for 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine is Clc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1.
What is the InChIKey of 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine?
The InChIKey is MQVZNVRBLROWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-18-6-2-1-5-17(18)15-9-8-14-12-20(23-13-16(14)11-15)24-19-7-3-4-10-22-19/h1-13H,(H,22,23,24).
What are the key properties of 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine?
7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine has a molecular weight of 331.81 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-N-pyridin-2-ylisoquinolin-3-amine is sourced from PubChem (CID 57410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).