1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline

C15H24NO3P — CID 167883099

IUPAC1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline
SMILESCCOP(=O)(CCN1CCCc2ccccc21)OCC
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3
InChIKeyGIAUPKXZVQJKAV-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.71
Rot. Bonds7

About 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline

1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline (PubChem CID 167883099) has the molecular formula C15H24NO3P and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline
PubChem CID167883099
Molecular FormulaC15H24NO3P
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline
SMILESCCOP(=O)(CCN1CCCc2ccccc21)OCC
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3
InChIKeyGIAUPKXZVQJKAV-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.71
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

1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
3,4-dihydro-2H-quinolin-1-ylmethyl formate
CID 174811970
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
1-(3-isocyanopropyl)-3,4-dihydro-2H-quinoline
CID 118704588
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
1,3-bis(diethoxyphosphorylmethyl)-2,4-dihydroquinazoline
CID 4300521

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline (CID 167883099) is 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline is CCOP(=O)(CCN1CCCc2ccccc21)OCC.
What is the InChIKey of 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is GIAUPKXZVQJKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline?
1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 297.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 167883099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).