3-(bromomethyl)-2-(2-chlorophenoxy)quinoline

C16H11BrClNO — CID 107086929

IUPAC3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
SMILESClc1ccccc1Oc1nc2ccccc2cc1CBr
InChIInChI=1S/C16H11BrClNO/c17-10-12-9-11-5-1-3-7-14(11)19-16(12)20-15-8-4-2-6-13(15)18/h1-9H,10H2
InChIKeyHXYKIWGLSYBQDB-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.58
Rot. Bonds3

About 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline

3-(bromomethyl)-2-(2-chlorophenoxy)quinoline (PubChem CID 107086929) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline.

Molecular Properties

Compound Name3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
PubChem CID107086929
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
SMILESClc1ccccc1Oc1nc2ccccc2cc1CBr
InChIInChI=1S/C16H11BrClNO/c17-10-12-9-11-5-1-3-7-14(11)19-16(12)20-15-8-4-2-6-13(15)18/h1-9H,10H2
InChIKeyHXYKIWGLSYBQDB-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
CID 107087175
2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
CID 107088617
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
CID 28964083
3-(bromomethyl)-2-(4-bromo-3-methylphenoxy)quinoline
CID 107089091
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
CID 82718093
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline?
The IUPAC name of 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline (CID 107086929) is 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline.
What is the SMILES notation for 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline?
The canonical SMILES for 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline is Clc1ccccc1Oc1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline?
The InChIKey is HXYKIWGLSYBQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-10-12-9-11-5-1-3-7-14(11)19-16(12)20-15-8-4-2-6-13(15)18/h1-9H,10H2.
What are the key properties of 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline?
3-(bromomethyl)-2-(2-chlorophenoxy)quinoline has a molecular weight of 348.63 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(2-chlorophenoxy)quinoline is sourced from PubChem (CID 107086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).