2-(2-bromophenoxy)-4-(chloromethyl)quinoline

C16H11BrClNO — CID 63446400

IUPAC2-(2-bromophenoxy)-4-(chloromethyl)quinoline
SMILESClCc1cc(Oc2ccccc2Br)nc2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-13-6-2-4-8-15(13)20-16-9-11(10-18)12-5-1-3-7-14(12)19-16/h1-9H,10H2
InChIKeyNCJDMZGOYRSDQA-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.53
Rot. Bonds3

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

2-(2-bromophenoxy)-4-(chloromethyl)quinoline (PubChem CID 63446400) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-4-(chloromethyl)quinoline.

Molecular Properties

Compound Name2-(2-bromophenoxy)-4-(chloromethyl)quinoline
PubChem CID63446400
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name2-(2-bromophenoxy)-4-(chloromethyl)quinoline
SMILESClCc1cc(Oc2ccccc2Br)nc2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-13-6-2-4-8-15(13)20-16-9-11(10-18)12-5-1-3-7-14(12)19-16/h1-9H,10H2
InChIKeyNCJDMZGOYRSDQA-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.53
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-(2-bromophenoxy)-4-(chloromethyl)quinoline?
The IUPAC name of 2-(2-bromophenoxy)-4-(chloromethyl)quinoline (CID 63446400) is 2-(2-bromophenoxy)-4-(chloromethyl)quinoline.
What is the SMILES notation for 2-(2-bromophenoxy)-4-(chloromethyl)quinoline?
The canonical SMILES for 2-(2-bromophenoxy)-4-(chloromethyl)quinoline is ClCc1cc(Oc2ccccc2Br)nc2ccccc12.
What is the InChIKey of 2-(2-bromophenoxy)-4-(chloromethyl)quinoline?
The InChIKey is NCJDMZGOYRSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-13-6-2-4-8-15(13)20-16-9-11(10-18)12-5-1-3-7-14(12)19-16/h1-9H,10H2.
What are the key properties of 2-(2-bromophenoxy)-4-(chloromethyl)quinoline?
2-(2-bromophenoxy)-4-(chloromethyl)quinoline has a molecular weight of 348.63 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-4-(chloromethyl)quinoline is sourced from PubChem (CID 63446400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).