8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline

C17H13BrClNO — CID 63536066

IUPAC8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
SMILESClc1cc(CBr)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13BrClNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2
InChIKeyUKPMRIRFNNOZAM-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.36
Rot. Bonds4

About 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline

8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline (PubChem CID 63536066) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
PubChem CID63536066
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
SMILESClc1cc(CBr)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13BrClNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2
InChIKeyUKPMRIRFNNOZAM-UHFFFAOYSA-N
XLogP5.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.36
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

8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691850
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
CID 63534211
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 114318357
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline?
The IUPAC name of 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline (CID 63536066) is 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline.
What is the SMILES notation for 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline?
The canonical SMILES for 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline is Clc1cc(CBr)ccc1OCc1cccc2cccnc12.
What is the InChIKey of 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline?
The InChIKey is UKPMRIRFNNOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2.
What are the key properties of 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline?
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline has a molecular weight of 362.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline is sourced from PubChem (CID 63536066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).