5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline

C15H10Cl2N2O — CID 103044604

IUPAC5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
SMILESClc1cc(Cl)c(COc2cccc3ncccc23)cn1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-15(17)19-8-10(12)9-20-14-5-1-4-13-11(14)3-2-6-18-13/h1-8H,9H2
InChIKeyIXCJIVULCURTSO-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.52
Rot. Bonds3

About 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline

5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline (PubChem CID 103044604) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline.

Molecular Properties

Compound Name5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
PubChem CID103044604
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
SMILESClc1cc(Cl)c(COc2cccc3ncccc23)cn1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-15(17)19-8-10(12)9-20-14-5-1-4-13-11(14)3-2-6-18-13/h1-8H,9H2
InChIKeyIXCJIVULCURTSO-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
[5-fluoro-2-(quinolin-5-yloxymethyl)phenyl]methanamine
CID 103044344
3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
CID 103045464
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
4-(quinolin-5-yloxymethyl)benzenecarbothioamide
CID 103044813
2-quinolin-5-yloxyacetaldehyde
CID 103045247

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline?
The IUPAC name of 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline (CID 103044604) is 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline.
What is the SMILES notation for 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline?
The canonical SMILES for 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline is Clc1cc(Cl)c(COc2cccc3ncccc23)cn1.
What is the InChIKey of 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline?
The InChIKey is IXCJIVULCURTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-7-15(17)19-8-10(12)9-20-14-5-1-4-13-11(14)3-2-6-18-13/h1-8H,9H2.
What are the key properties of 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline?
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline has a molecular weight of 305.16 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline is sourced from PubChem (CID 103044604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).