2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline

C16H10Cl3NO — CID 63446146

IUPAC2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
SMILESClCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H10Cl3NO/c17-9-11-8-15(12-3-1-2-4-14(12)20-11)21-16-7-10(18)5-6-13(16)19/h1-8H,9H2
InChIKeyUWTBRFCIDKGJTJ-UHFFFAOYSA-N
MW338.62 g/mol
LogP6.07
Rot. Bonds3

About 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline

2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline (PubChem CID 63446146) has the molecular formula C16H10Cl3NO and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
PubChem CID63446146
Molecular FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
Exact Mass336.98
IUPAC Name2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
SMILESClCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H10Cl3NO/c17-9-11-8-15(12-3-1-2-4-14(12)20-11)21-16-7-10(18)5-6-13(16)19/h1-8H,9H2
InChIKeyUWTBRFCIDKGJTJ-UHFFFAOYSA-N
XLogP6.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline (CID 63446146) is 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline is ClCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline?
The InChIKey is UWTBRFCIDKGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO/c17-9-11-8-15(12-3-1-2-4-14(12)20-11)21-16-7-10(18)5-6-13(16)19/h1-8H,9H2.
What are the key properties of 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline?
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline has a molecular weight of 338.62 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline is sourced from PubChem (CID 63446146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).