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

C21H21NO3 — CID 70813287

IUPAC6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline
SMILESCOc1ccc2nc(-c3ccc(OC4CCCCO4)cc3)ccc2c1
InChIInChI=1S/C21H21NO3/c1-23-18-10-12-20-16(14-18)7-11-19(22-20)15-5-8-17(9-6-15)25-21-4-2-3-13-24-21/h5-12,14,21H,2-4,13H2,1H3
InChIKeyXMWCOOCTLIVFDL-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.82
Rot. Bonds4

About 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline

6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline (PubChem CID 70813287) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline.

Molecular Properties

Compound Name6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline
PubChem CID70813287
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline
SMILESCOc1ccc2nc(-c3ccc(OC4CCCCO4)cc3)ccc2c1
InChIInChI=1S/C21H21NO3/c1-23-18-10-12-20-16(14-18)7-11-19(22-20)15-5-8-17(9-6-15)25-21-4-2-3-13-24-21/h5-12,14,21H,2-4,13H2,1H3
InChIKeyXMWCOOCTLIVFDL-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 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline?
The IUPAC name of 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline (CID 70813287) is 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline.
What is the SMILES notation for 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline?
The canonical SMILES for 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline is COc1ccc2nc(-c3ccc(OC4CCCCO4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline?
The InChIKey is XMWCOOCTLIVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-18-10-12-20-16(14-18)7-11-19(22-20)15-5-8-17(9-6-15)25-21-4-2-3-13-24-21/h5-12,14,21H,2-4,13H2,1H3.
What are the key properties of 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline?
6-methoxy-2-[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 6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline is sourced from PubChem (CID 70813287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).