4-(chloromethyl)-2-(2-chlorophenoxy)quinoline

C16H11Cl2NO — CID 63446022

IUPAC4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
SMILESClCc1cc(Oc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-10-11-9-16(19-14-7-3-1-5-12(11)14)20-15-8-4-2-6-13(15)18/h1-9H,10H2
InChIKeyWZEDHTSZDLRKMI-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.42
Rot. Bonds3

About 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline

4-(chloromethyl)-2-(2-chlorophenoxy)quinoline (PubChem CID 63446022) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
PubChem CID63446022
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
SMILESClCc1cc(Oc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-10-11-9-16(19-14-7-3-1-5-12(11)14)20-15-8-4-2-6-13(15)18/h1-9H,10H2
InChIKeyWZEDHTSZDLRKMI-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.42
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 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline (CID 63446022) is 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline is ClCc1cc(Oc2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline?
The InChIKey is WZEDHTSZDLRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-10-11-9-16(19-14-7-3-1-5-12(11)14)20-15-8-4-2-6-13(15)18/h1-9H,10H2.
What are the key properties of 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline?
4-(chloromethyl)-2-(2-chlorophenoxy)quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-chlorophenoxy)quinoline is sourced from PubChem (CID 63446022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).