2-(2-cyclohexylphenoxy)-1,6-naphthyridine

C20H20N2O — CID 167050185

IUPAC2-(2-cyclohexylphenoxy)-1,6-naphthyridine
SMILESc1ccc(C2CCCCC2)c(Oc2ccc3cnccc3n2)c1
InChIInChI=1S/C20H20N2O/c1-2-6-15(7-3-1)17-8-4-5-9-19(17)23-20-11-10-16-14-21-13-12-18(16)22-20/h4-5,8-15H,1-3,6-7H2
InChIKeyWJCPLHLFVIRETP-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.47
Rot. Bonds3

About 2-(2-cyclohexylphenoxy)-1,6-naphthyridine

2-(2-cyclohexylphenoxy)-1,6-naphthyridine (PubChem CID 167050185) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-cyclohexylphenoxy)-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2-cyclohexylphenoxy)-1,6-naphthyridine
PubChem CID167050185
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(2-cyclohexylphenoxy)-1,6-naphthyridine
SMILESc1ccc(C2CCCCC2)c(Oc2ccc3cnccc3n2)c1
InChIInChI=1S/C20H20N2O/c1-2-6-15(7-3-1)17-8-4-5-9-19(17)23-20-11-10-16-14-21-13-12-18(16)22-20/h4-5,8-15H,1-3,6-7H2
InChIKeyWJCPLHLFVIRETP-UHFFFAOYSA-N
XLogP5.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenoxy)-1,6-naphthyridine?
The IUPAC name of 2-(2-cyclohexylphenoxy)-1,6-naphthyridine (CID 167050185) is 2-(2-cyclohexylphenoxy)-1,6-naphthyridine.
What is the SMILES notation for 2-(2-cyclohexylphenoxy)-1,6-naphthyridine?
The canonical SMILES for 2-(2-cyclohexylphenoxy)-1,6-naphthyridine is c1ccc(C2CCCCC2)c(Oc2ccc3cnccc3n2)c1.
What is the InChIKey of 2-(2-cyclohexylphenoxy)-1,6-naphthyridine?
The InChIKey is WJCPLHLFVIRETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-6-15(7-3-1)17-8-4-5-9-19(17)23-20-11-10-16-14-21-13-12-18(16)22-20/h4-5,8-15H,1-3,6-7H2.
What are the key properties of 2-(2-cyclohexylphenoxy)-1,6-naphthyridine?
2-(2-cyclohexylphenoxy)-1,6-naphthyridine has a molecular weight of 304.39 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenoxy)-1,6-naphthyridine is sourced from PubChem (CID 167050185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).