4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline

C22H16N2O — CID 12908802

IUPAC4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline
SMILESC(=C/c1nnc2ccccc2c1Oc1ccccc1)\c1ccccc1
InChIInChI=1S/C22H16N2O/c1-3-9-17(10-4-1)15-16-21-22(25-18-11-5-2-6-12-18)19-13-7-8-14-20(19)23-24-21/h1-16H/b16-15+
InChIKeyPDOAZFPAJPADLI-FOCLMDBBSA-N
MW324.38 g/mol
LogP5.59
Rot. Bonds4

About 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline

4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline (PubChem CID 12908802) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline.

Molecular Properties

Compound Name4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline
PubChem CID12908802
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline
SMILESC(=C/c1nnc2ccccc2c1Oc1ccccc1)\c1ccccc1
InChIInChI=1S/C22H16N2O/c1-3-9-17(10-4-1)15-16-21-22(25-18-11-5-2-6-12-18)19-13-7-8-14-20(19)23-24-21/h1-16H/b16-15+
InChIKeyPDOAZFPAJPADLI-FOCLMDBBSA-N
XLogP5.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline?
The IUPAC name of 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline (CID 12908802) is 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline.
What is the SMILES notation for 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline?
The canonical SMILES for 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline is C(=C/c1nnc2ccccc2c1Oc1ccccc1)\c1ccccc1.
What is the InChIKey of 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline?
The InChIKey is PDOAZFPAJPADLI-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H16N2O/c1-3-9-17(10-4-1)15-16-21-22(25-18-11-5-2-6-12-18)19-13-7-8-14-20(19)23-24-21/h1-16H/b16-15+.
What are the key properties of 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline?
4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline has a molecular weight of 324.38 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline is sourced from PubChem (CID 12908802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).