3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one

C21H24NO4P — CID 54001280

IUPAC3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one
SMILESCCCOP(=O)(OCCC)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C21H24NO4P/c1-3-13-25-27(24,26-14-4-2)20-12-11-19(22-21(20)23)18-10-9-16-7-5-6-8-17(16)15-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyKLUGSQJVMXVYIH-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.87
Rot. Bonds8

About 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one

3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one (PubChem CID 54001280) has the molecular formula C21H24NO4P and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one
PubChem CID54001280
Molecular FormulaC21H24NO4P
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one
SMILESCCCOP(=O)(OCCC)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C21H24NO4P/c1-3-13-25-27(24,26-14-4-2)20-12-11-19(22-21(20)23)18-10-9-16-7-5-6-8-17(16)15-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyKLUGSQJVMXVYIH-UHFFFAOYSA-N
XLogP4.87
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
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 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one (CID 54001280) is 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one is CCCOP(=O)(OCCC)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one?
The InChIKey is KLUGSQJVMXVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24NO4P/c1-3-13-25-27(24,26-14-4-2)20-12-11-19(22-21(20)23)18-10-9-16-7-5-6-8-17(16)15-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one?
3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one has a molecular weight of 385.40 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipropoxyphosphoryl-6-naphthalen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 54001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).