2-(chloromethyl)-4-(4-iodophenoxy)quinoline

C16H11ClINO — CID 63446807

IUPAC2-(chloromethyl)-4-(4-iodophenoxy)quinoline
SMILESClCc1cc(Oc2ccc(I)cc2)c2ccccc2n1
InChIInChI=1S/C16H11ClINO/c17-10-12-9-16(14-3-1-2-4-15(14)19-12)20-13-7-5-11(18)6-8-13/h1-9H,10H2
InChIKeyLZHDDYDEMWRHIQ-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.37
Rot. Bonds3

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

2-(chloromethyl)-4-(4-iodophenoxy)quinoline (PubChem CID 63446807) has the molecular formula C16H11ClINO and a molecular weight of 395.63 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-iodophenoxy)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-iodophenoxy)quinoline
PubChem CID63446807
Molecular FormulaC16H11ClINO
Molecular Weight395.63 g/mol
Exact Mass394.96
IUPAC Name2-(chloromethyl)-4-(4-iodophenoxy)quinoline
SMILESClCc1cc(Oc2ccc(I)cc2)c2ccccc2n1
InChIInChI=1S/C16H11ClINO/c17-10-12-9-16(14-3-1-2-4-15(14)19-12)20-13-7-5-11(18)6-8-13/h1-9H,10H2
InChIKeyLZHDDYDEMWRHIQ-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-iodophenoxy)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(4-iodophenoxy)quinoline (CID 63446807) is 2-(chloromethyl)-4-(4-iodophenoxy)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(4-iodophenoxy)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(4-iodophenoxy)quinoline is ClCc1cc(Oc2ccc(I)cc2)c2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)-4-(4-iodophenoxy)quinoline?
The InChIKey is LZHDDYDEMWRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClINO/c17-10-12-9-16(14-3-1-2-4-15(14)19-12)20-13-7-5-11(18)6-8-13/h1-9H,10H2.
What are the key properties of 2-(chloromethyl)-4-(4-iodophenoxy)quinoline?
2-(chloromethyl)-4-(4-iodophenoxy)quinoline has a molecular weight of 395.63 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-iodophenoxy)quinoline is sourced from PubChem (CID 63446807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).