8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline

C15H10Cl2N2O — CID 114921266

IUPAC8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cc(Oc2cccc3cccnc23)ncc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-8-11-7-14(19-9-12(11)17)20-13-5-1-3-10-4-2-6-18-15(10)13/h1-7,9H,8H2
InChIKeyWEBAZKXTXUHWNE-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.81
Rot. Bonds3

About 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline

8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline (PubChem CID 114921266) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
PubChem CID114921266
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cc(Oc2cccc3cccnc23)ncc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-8-11-7-14(19-9-12(11)17)20-13-5-1-3-10-4-2-6-18-15(10)13/h1-7,9H,8H2
InChIKeyWEBAZKXTXUHWNE-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.81
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

8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
CID 66466889
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
8-(chloromethoxy)quinoline
CID 79531226
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
N-methyl-1-(6-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322740
CID 137322014
CID 137322014
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898

Frequently Asked Questions

What is the IUPAC name of 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The IUPAC name of 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline (CID 114921266) is 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline.
What is the SMILES notation for 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The canonical SMILES for 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline is ClCc1cc(Oc2cccc3cccnc23)ncc1Cl.
What is the InChIKey of 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The InChIKey is WEBAZKXTXUHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-8-11-7-14(19-9-12(11)17)20-13-5-1-3-10-4-2-6-18-15(10)13/h1-7,9H,8H2.
What are the key properties of 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline has a molecular weight of 305.16 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline is sourced from PubChem (CID 114921266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).