6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline

C17H15ClN2O — CID 79163844

IUPAC6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
SMILESCc1ccc(OCc2ccc3ncccc3c2)c(CCl)n1
InChIInChI=1S/C17H15ClN2O/c1-12-4-7-17(16(10-18)20-12)21-11-13-5-6-15-14(9-13)3-2-8-19-15/h2-9H,10-11H2,1H3
InChIKeyXZMZLWRWMAPXPB-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.26
Rot. Bonds4

About 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline

6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline (PubChem CID 79163844) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline.

Molecular Properties

Compound Name6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
PubChem CID79163844
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
SMILESCc1ccc(OCc2ccc3ncccc3c2)c(CCl)n1
InChIInChI=1S/C17H15ClN2O/c1-12-4-7-17(16(10-18)20-12)21-11-13-5-6-15-14(9-13)3-2-8-19-15/h2-9H,10-11H2,1H3
InChIKeyXZMZLWRWMAPXPB-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline?
The IUPAC name of 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline (CID 79163844) is 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline.
What is the SMILES notation for 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline?
The canonical SMILES for 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline is Cc1ccc(OCc2ccc3ncccc3c2)c(CCl)n1.
What is the InChIKey of 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline?
The InChIKey is XZMZLWRWMAPXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-4-7-17(16(10-18)20-12)21-11-13-5-6-15-14(9-13)3-2-8-19-15/h2-9H,10-11H2,1H3.
What are the key properties of 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline?
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline has a molecular weight of 298.77 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline is sourced from PubChem (CID 79163844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).