4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline

C19H19NO — CID 23962836

IUPAC4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)cc(Oc3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C19H19NO/c1-12-5-8-18-17(9-12)19(11-15(4)20-18)21-16-7-6-13(2)14(3)10-16/h5-11H,1-4H3
InChIKeyDKMIYHGQSKZYJO-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.26
Rot. Bonds2

About 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline

4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline (PubChem CID 23962836) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
PubChem CID23962836
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)cc(Oc3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C19H19NO/c1-12-5-8-18-17(9-12)19(11-15(4)20-18)21-16-7-6-13(2)14(3)10-16/h5-11H,1-4H3
InChIKeyDKMIYHGQSKZYJO-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline?
The IUPAC name of 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline (CID 23962836) is 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline is Cc1ccc2nc(C)cc(Oc3ccc(C)c(C)c3)c2c1.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline?
The InChIKey is DKMIYHGQSKZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-5-8-18-17(9-12)19(11-15(4)20-18)21-16-7-6-13(2)14(3)10-16/h5-11H,1-4H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline?
4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline has a molecular weight of 277.37 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline is sourced from PubChem (CID 23962836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).