2-(4-methoxyphenoxy)-4,8-dimethylquinoline

C18H17NO2 — CID 3759611

IUPAC2-(4-methoxyphenoxy)-4,8-dimethylquinoline
SMILESCOc1ccc(Oc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H17NO2/c1-12-5-4-6-16-13(2)11-17(19-18(12)16)21-15-9-7-14(20-3)8-10-15/h4-11H,1-3H3
InChIKeyLMJNOIVZHRPHEQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-methoxyphenoxy)-4,8-dimethylquinoline

2-(4-methoxyphenoxy)-4,8-dimethylquinoline (PubChem CID 3759611) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-4,8-dimethylquinoline
PubChem CID3759611
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(4-methoxyphenoxy)-4,8-dimethylquinoline
SMILESCOc1ccc(Oc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H17NO2/c1-12-5-4-6-16-13(2)11-17(19-18(12)16)21-15-9-7-14(20-3)8-10-15/h4-11H,1-3H3
InChIKeyLMJNOIVZHRPHEQ-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-4,8-dimethylquinoline?
The IUPAC name of 2-(4-methoxyphenoxy)-4,8-dimethylquinoline (CID 3759611) is 2-(4-methoxyphenoxy)-4,8-dimethylquinoline.
What is the SMILES notation for 2-(4-methoxyphenoxy)-4,8-dimethylquinoline?
The canonical SMILES for 2-(4-methoxyphenoxy)-4,8-dimethylquinoline is COc1ccc(Oc2cc(C)c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-4,8-dimethylquinoline?
The InChIKey is LMJNOIVZHRPHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-5-4-6-16-13(2)11-17(19-18(12)16)21-15-9-7-14(20-3)8-10-15/h4-11H,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)-4,8-dimethylquinoline?
2-(4-methoxyphenoxy)-4,8-dimethylquinoline has a molecular weight of 279.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-4,8-dimethylquinoline is sourced from PubChem (CID 3759611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).