8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline

C14H10ClN3O — CID 66466889

IUPAC8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
SMILESClCc1cncc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C14H10ClN3O/c15-7-11-8-16-9-13(18-11)19-12-5-1-3-10-4-2-6-17-14(10)12/h1-6,8-9H,7H2
InChIKeyJRLJNLPTHWZXSQ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.56
Rot. Bonds3

About 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline

8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline (PubChem CID 66466889) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline.

Molecular Properties

Compound Name8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
PubChem CID66466889
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
SMILESClCc1cncc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C14H10ClN3O/c15-7-11-8-16-9-13(18-11)19-12-5-1-3-10-4-2-6-17-14(10)12/h1-6,8-9H,7H2
InChIKeyJRLJNLPTHWZXSQ-UHFFFAOYSA-N
XLogP3.56
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-quinolin-8-yloxypyrazin-2-yl)methanol
CID 66467992
2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
CID 66466210
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
N-propyl-6-quinolin-8-yloxypyrazin-2-amine
CID 80874686
N-methyl-1-(6-quinolin-8-yloxy-2-pyridinyl)methanamine
CID 62321854
8-(chloromethoxy)quinoline
CID 79531226
2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
CID 66466430
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
CID 137322014
CID 137322014
N-methyl-6-quinolin-8-yloxypyridin-2-amine
CID 80881760
2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
CID 66467805
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307

Frequently Asked Questions

What is the IUPAC name of 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline?
The IUPAC name of 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline (CID 66466889) is 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline.
What is the SMILES notation for 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline?
The canonical SMILES for 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline is ClCc1cncc(Oc2cccc3cccnc23)n1.
What is the InChIKey of 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline?
The InChIKey is JRLJNLPTHWZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-7-11-8-16-9-13(18-11)19-12-5-1-3-10-4-2-6-17-14(10)12/h1-6,8-9H,7H2.
What are the key properties of 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline?
8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline has a molecular weight of 271.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline is sourced from PubChem (CID 66466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).