3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline

C15H11ClN2O — CID 107387696

IUPAC3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cccc(Oc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H11ClN2O/c16-9-12-5-3-7-15(18-12)19-13-8-11-4-1-2-6-14(11)17-10-13/h1-8,10H,9H2
InChIKeyDZQXPXZIRXFDSO-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.16
Rot. Bonds3

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

3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline (PubChem CID 107387696) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
PubChem CID107387696
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cccc(Oc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H11ClN2O/c16-9-12-5-3-7-15(18-12)19-13-8-11-4-1-2-6-14(11)17-10-13/h1-8,10H,9H2
InChIKeyDZQXPXZIRXFDSO-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
3-(bromomethoxy)quinoline
CID 54277099
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The IUPAC name of 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline (CID 107387696) is 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline.
What is the SMILES notation for 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The canonical SMILES for 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline is ClCc1cccc(Oc2cnc3ccccc3c2)n1.
What is the InChIKey of 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The InChIKey is DZQXPXZIRXFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-9-12-5-3-7-15(18-12)19-13-8-11-4-1-2-6-14(11)17-10-13/h1-8,10H,9H2.
What are the key properties of 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline?
3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline has a molecular weight of 270.72 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline is sourced from PubChem (CID 107387696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).