3-(1-diethoxyphosphorylethenyl)quinoline

C15H18NO3P — CID 23421662

IUPAC3-(1-diethoxyphosphorylethenyl)quinoline
SMILESC=C(c1cnc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C15H18NO3P/c1-4-18-20(17,19-5-2)12(3)14-10-13-8-6-7-9-15(13)16-11-14/h6-11H,3-5H2,1-2H3
InChIKeyXNOUSEVTCMEBQA-UHFFFAOYSA-N
MW291.29 g/mol
LogP4.47
Rot. Bonds6

About 3-(1-diethoxyphosphorylethenyl)quinoline

3-(1-diethoxyphosphorylethenyl)quinoline (PubChem CID 23421662) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-(1-diethoxyphosphorylethenyl)quinoline.

Molecular Properties

Compound Name3-(1-diethoxyphosphorylethenyl)quinoline
PubChem CID23421662
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name3-(1-diethoxyphosphorylethenyl)quinoline
SMILESC=C(c1cnc2ccccc2c1)P(=O)(OCC)OCC
InChIInChI=1S/C15H18NO3P/c1-4-18-20(17,19-5-2)12(3)14-10-13-8-6-7-9-15(13)16-11-14/h6-11H,3-5H2,1-2H3
InChIKeyXNOUSEVTCMEBQA-UHFFFAOYSA-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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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-Isopropylquinoline
CID 67285
Quinoline 1-oxide
CID 15366
7-Methylquinoline
CID 11927
Quinolinium, 1-ethyl-, iodide (1:1)
CID 69446
(Isobutyl)quinoline
CID 74005
6-(sec-Butyl)quinoline
CID 103401

Frequently Asked Questions

What is the IUPAC name of 3-(1-diethoxyphosphorylethenyl)quinoline?
The IUPAC name of 3-(1-diethoxyphosphorylethenyl)quinoline (CID 23421662) is 3-(1-diethoxyphosphorylethenyl)quinoline.
What is the SMILES notation for 3-(1-diethoxyphosphorylethenyl)quinoline?
The canonical SMILES for 3-(1-diethoxyphosphorylethenyl)quinoline is C=C(c1cnc2ccccc2c1)P(=O)(OCC)OCC.
What is the InChIKey of 3-(1-diethoxyphosphorylethenyl)quinoline?
The InChIKey is XNOUSEVTCMEBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO3P/c1-4-18-20(17,19-5-2)12(3)14-10-13-8-6-7-9-15(13)16-11-14/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-(1-diethoxyphosphorylethenyl)quinoline?
3-(1-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 3-(1-diethoxyphosphorylethenyl)quinoline is sourced from PubChem (CID 23421662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).