3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline

C16H10BrCl2NO — CID 107087175

IUPAC3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
SMILESClc1ccc(Oc2nc3ccccc3cc2CBr)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-6-5-12(18)8-13(15)19/h1-8H,9H2
InChIKeyCZGDFEFAPWRKGG-UHFFFAOYSA-N
MW383.07 g/mol
LogP6.23
Rot. Bonds3

About 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline

3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline (PubChem CID 107087175) has the molecular formula C16H10BrCl2NO and a molecular weight of 383.07 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline.

Molecular Properties

Compound Name3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
PubChem CID107087175
Molecular FormulaC16H10BrCl2NO
Molecular Weight383.07 g/mol
Exact Mass380.93
IUPAC Name3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
SMILESClc1ccc(Oc2nc3ccccc3cc2CBr)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-6-5-12(18)8-13(15)19/h1-8H,9H2
InChIKeyCZGDFEFAPWRKGG-UHFFFAOYSA-N
XLogP6.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.07
LogP ≤ 56.23
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-chlorophenoxy)quinoline
CID 107086929
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-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
CID 82718093
4-(chloromethyl)-1-(2,4-dichlorophenoxy)isoquinoline
CID 106769528

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline?
The IUPAC name of 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline (CID 107087175) is 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline.
What is the SMILES notation for 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline?
The canonical SMILES for 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline is Clc1ccc(Oc2nc3ccccc3cc2CBr)c(Cl)c1.
What is the InChIKey of 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline?
The InChIKey is CZGDFEFAPWRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO/c17-9-11-7-10-3-1-2-4-14(10)20-16(11)21-15-6-5-12(18)8-13(15)19/h1-8H,9H2.
What are the key properties of 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline?
3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline has a molecular weight of 383.07 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline is sourced from PubChem (CID 107087175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).