2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline

C13H20NO3P — CID 140968495

IUPAC2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
SMILESCCOP(=O)(OCC)C1CCc2ccccc2N1
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13-10-9-11-7-5-6-8-12(11)14-13/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyJJGNBIUYNBZNLM-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.64
Rot. Bonds5

About 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline

2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline (PubChem CID 140968495) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
PubChem CID140968495
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
SMILESCCOP(=O)(OCC)C1CCc2ccccc2N1
InChIInChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13-10-9-11-7-5-6-8-12(11)14-13/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyJJGNBIUYNBZNLM-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
2-diethoxyphosphoryl-1-phenylpyrrolidine
CID 134967267
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate
CID 142459646
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
trimethyl(1,2,3,4-tetrahydroquinolin-2-yl)silane
CID 15654414
(2R)-2-diethoxyphosphorylpyrrolidine
CID 10727017
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 65042148
3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 115401133
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline (CID 140968495) is 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline is CCOP(=O)(OCC)C1CCc2ccccc2N1.
What is the InChIKey of 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline?
The InChIKey is JJGNBIUYNBZNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13-10-9-11-7-5-6-8-12(11)14-13/h5-8,13-14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline?
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline has a molecular weight of 269.28 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 140968495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).