3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline

C16H13ClN2O — CID 107387701

IUPAC3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
SMILESCc1cc(Oc2cnc3ccccc3c2)c(CCl)cn1
InChIInChI=1S/C16H13ClN2O/c1-11-6-16(13(8-17)9-18-11)20-14-7-12-4-2-3-5-15(12)19-10-14/h2-7,9-10H,8H2,1H3
InChIKeyYPKZZLIKFGQBGL-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.47
Rot. Bonds3

About 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline

3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline (PubChem CID 107387701) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
PubChem CID107387701
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
SMILESCc1cc(Oc2cnc3ccccc3c2)c(CCl)cn1
InChIInChI=1S/C16H13ClN2O/c1-11-6-16(13(8-17)9-18-11)20-14-7-12-4-2-3-5-15(12)19-10-14/h2-7,9-10H,8H2,1H3
InChIKeyYPKZZLIKFGQBGL-UHFFFAOYSA-N
XLogP4.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.47
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

3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387696
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline?
The IUPAC name of 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline (CID 107387701) is 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline.
What is the SMILES notation for 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline?
The canonical SMILES for 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline is Cc1cc(Oc2cnc3ccccc3c2)c(CCl)cn1.
What is the InChIKey of 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline?
The InChIKey is YPKZZLIKFGQBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-6-16(13(8-17)9-18-11)20-14-7-12-4-2-3-5-15(12)19-10-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline?
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline has a molecular weight of 284.75 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline is sourced from PubChem (CID 107387701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).