6-[(E)-2-diethoxyphosphorylethenyl]quinoline

C15H18NO3P — CID 23421666

IUPAC6-[(E)-2-diethoxyphosphorylethenyl]quinoline
SMILESCCOP(=O)(/C=C/c1ccc2ncccc2c1)OCC
InChIInChI=1S/C15H18NO3P/c1-3-18-20(17,19-4-2)11-9-13-7-8-15-14(12-13)6-5-10-16-15/h5-12H,3-4H2,1-2H3/b11-9+
InChIKeySPMYRWYONJGPLD-PKNBQFBNSA-N
MW291.29 g/mol
LogP4.47
Rot. Bonds6

About 6-[(E)-2-diethoxyphosphorylethenyl]quinoline

6-[(E)-2-diethoxyphosphorylethenyl]quinoline (PubChem CID 23421666) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is 6-[(E)-2-diethoxyphosphorylethenyl]quinoline.

Molecular Properties

Compound Name6-[(E)-2-diethoxyphosphorylethenyl]quinoline
PubChem CID23421666
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name6-[(E)-2-diethoxyphosphorylethenyl]quinoline
SMILESCCOP(=O)(/C=C/c1ccc2ncccc2c1)OCC
InChIInChI=1S/C15H18NO3P/c1-3-18-20(17,19-4-2)11-9-13-7-8-15-14(12-13)6-5-10-16-15/h5-12H,3-4H2,1-2H3/b11-9+
InChIKeySPMYRWYONJGPLD-PKNBQFBNSA-N
XLogP4.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-diethoxyphosphorylethenyl]quinoline?
The IUPAC name of 6-[(E)-2-diethoxyphosphorylethenyl]quinoline (CID 23421666) is 6-[(E)-2-diethoxyphosphorylethenyl]quinoline.
What is the SMILES notation for 6-[(E)-2-diethoxyphosphorylethenyl]quinoline?
The canonical SMILES for 6-[(E)-2-diethoxyphosphorylethenyl]quinoline is CCOP(=O)(/C=C/c1ccc2ncccc2c1)OCC.
What is the InChIKey of 6-[(E)-2-diethoxyphosphorylethenyl]quinoline?
The InChIKey is SPMYRWYONJGPLD-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H18NO3P/c1-3-18-20(17,19-4-2)11-9-13-7-8-15-14(12-13)6-5-10-16-15/h5-12H,3-4H2,1-2H3/b11-9+.
What are the key properties of 6-[(E)-2-diethoxyphosphorylethenyl]quinoline?
6-[(E)-2-diethoxyphosphorylethenyl]quinoline has a molecular weight of 291.29 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-diethoxyphosphorylethenyl]quinoline is sourced from PubChem (CID 23421666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).