7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline

C21H21NO3 — CID 170984899

IUPAC7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline
SMILESCOc1ccc2cccnc2c1-c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C21H21NO3/c1-23-18-12-9-16-5-4-13-22-21(16)20(18)15-7-10-17(11-8-15)25-19-6-2-3-14-24-19/h4-5,7-13,19H,2-3,6,14H2,1H3
InChIKeyMYJFXABERIWONN-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.82
Rot. Bonds4

About 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline

7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline (PubChem CID 170984899) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline.

Molecular Properties

Compound Name7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline
PubChem CID170984899
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline
SMILESCOc1ccc2cccnc2c1-c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C21H21NO3/c1-23-18-12-9-16-5-4-13-22-21(16)20(18)15-7-10-17(11-8-15)25-19-6-2-3-14-24-19/h4-5,7-13,19H,2-3,6,14H2,1H3
InChIKeyMYJFXABERIWONN-UHFFFAOYSA-N
XLogP4.82
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline?
The IUPAC name of 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline (CID 170984899) is 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline.
What is the SMILES notation for 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline?
The canonical SMILES for 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline is COc1ccc2cccnc2c1-c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline?
The InChIKey is MYJFXABERIWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-18-12-9-16-5-4-13-22-21(16)20(18)15-7-10-17(11-8-15)25-19-6-2-3-14-24-19/h4-5,7-13,19H,2-3,6,14H2,1H3.
What are the key properties of 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline?
7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline has a molecular weight of 335.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-[4-(oxan-2-yloxy)phenyl]quinoline is sourced from PubChem (CID 170984899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).