4,6-dichloroquinoline

C9H5Cl2N — CID 936075

IUPAC4,6-dichloroquinoline
SMILESClc1ccc2nccc(Cl)c2c1
InChIInChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyJZGUMSTXLPEMFW-UHFFFAOYSA-N
MW198.05 g/mol
LogP3.54
Rot. Bonds

About 4,6-dichloroquinoline

4,6-dichloroquinoline (PubChem CID 936075) has the molecular formula C9H5Cl2N and a molecular weight of 198.05 g/mol. Its IUPAC name is 4,6-dichloroquinoline.

Molecular Properties

Compound Name4,6-dichloroquinoline
PubChem CID936075
Molecular FormulaC9H5Cl2N
Molecular Weight198.05 g/mol
Exact Mass196.98
IUPAC Name4,6-dichloroquinoline
SMILESClc1ccc2nccc(Cl)c2c1
InChIInChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyJZGUMSTXLPEMFW-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloroquinoline?
The IUPAC name of 4,6-dichloroquinoline (CID 936075) is 4,6-dichloroquinoline.
What is the SMILES notation for 4,6-dichloroquinoline?
The canonical SMILES for 4,6-dichloroquinoline is Clc1ccc2nccc(Cl)c2c1.
What is the InChIKey of 4,6-dichloroquinoline?
The InChIKey is JZGUMSTXLPEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H.
What are the key properties of 4,6-dichloroquinoline?
4,6-dichloroquinoline has a molecular weight of 198.05 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloroquinoline is sourced from PubChem (CID 936075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).