8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

C26H20N2O2 — CID 989605

IUPAC8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3ccc(COc4cccc5cccnc45)cc3)cccc2c1
InChIInChI=1S/C26H20N2O2/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h1-16H,17-18H2
InChIKeyLUMUNWBFKLCHRW-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.94
Rot. Bonds6

About 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (PubChem CID 989605) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
PubChem CID989605
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3ccc(COc4cccc5cccnc45)cc3)cccc2c1
InChIInChI=1S/C26H20N2O2/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h1-16H,17-18H2
InChIKeyLUMUNWBFKLCHRW-UHFFFAOYSA-N
XLogP5.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The IUPAC name of 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (CID 989605) is 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is c1cnc2c(OCc3ccc(COc4cccc5cccnc45)cc3)cccc2c1.
What is the InChIKey of 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The InChIKey is LUMUNWBFKLCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h1-16H,17-18H2.
What are the key properties of 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 989605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).