4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline

C16H9Cl2N3 — CID 121005270

IUPAC4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline
SMILESClc1ccccc1-c1nc2c([nH]1)c(Cl)nc1ccccc12
InChIInChI=1S/C16H9Cl2N3/c17-11-7-3-1-5-9(11)16-20-13-10-6-2-4-8-12(10)19-15(18)14(13)21-16/h1-8H,(H,20,21)
InChIKeyYGIMATWYTRYSIR-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.08
Rot. Bonds1

About 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline

4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline (PubChem CID 121005270) has the molecular formula C16H9Cl2N3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline
PubChem CID121005270
Molecular FormulaC16H9Cl2N3
Molecular Weight314.18 g/mol
Exact Mass313.02
IUPAC Name4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline
SMILESClc1ccccc1-c1nc2c([nH]1)c(Cl)nc1ccccc12
InChIInChI=1S/C16H9Cl2N3/c17-11-7-3-1-5-9(11)16-20-13-10-6-2-4-8-12(10)19-15(18)14(13)21-16/h1-8H,(H,20,21)
InChIKeyYGIMATWYTRYSIR-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline 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 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline (CID 121005270) is 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline is Clc1ccccc1-c1nc2c([nH]1)c(Cl)nc1ccccc12.
What is the InChIKey of 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline?
The InChIKey is YGIMATWYTRYSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3/c17-11-7-3-1-5-9(11)16-20-13-10-6-2-4-8-12(10)19-15(18)14(13)21-16/h1-8H,(H,20,21).
What are the key properties of 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline?
4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline has a molecular weight of 314.18 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorophenyl)-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 121005270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).