2-dimethoxyphosphoryl-1-ethyl-2H-quinoline

C13H18NO3P — CID 156682517

IUPAC2-dimethoxyphosphoryl-1-ethyl-2H-quinoline
SMILESCCN1c2ccccc2C=CC1P(=O)(OC)OC
InChIInChI=1S/C13H18NO3P/c1-4-14-12-8-6-5-7-11(12)9-10-13(14)18(15,16-2)17-3/h5-10,13H,4H2,1-3H3
InChIKeyBMUZYYRACWCXOW-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.35
Rot. Bonds4

About 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline

2-dimethoxyphosphoryl-1-ethyl-2H-quinoline (PubChem CID 156682517) has the molecular formula C13H18NO3P and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-ethyl-2H-quinoline
PubChem CID156682517
Molecular FormulaC13H18NO3P
Molecular Weight267.27 g/mol
Exact Mass267.10
IUPAC Name2-dimethoxyphosphoryl-1-ethyl-2H-quinoline
SMILESCCN1c2ccccc2C=CC1P(=O)(OC)OC
InChIInChI=1S/C13H18NO3P/c1-4-14-12-8-6-5-7-11(12)9-10-13(14)18(15,16-2)17-3/h5-10,13H,4H2,1-3H3
InChIKeyBMUZYYRACWCXOW-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.35
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 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline?
The IUPAC name of 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline (CID 156682517) is 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline?
The canonical SMILES for 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline is CCN1c2ccccc2C=CC1P(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline?
The InChIKey is BMUZYYRACWCXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO3P/c1-4-14-12-8-6-5-7-11(12)9-10-13(14)18(15,16-2)17-3/h5-10,13H,4H2,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline?
2-dimethoxyphosphoryl-1-ethyl-2H-quinoline has a molecular weight of 267.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-ethyl-2H-quinoline is sourced from PubChem (CID 156682517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).