3-diphenylphosphoryl-1-methylquinolin-2-one

C22H18NO2P — CID 132608905

IUPAC3-diphenylphosphoryl-1-methylquinolin-2-one
SMILESCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C22H18NO2P/c1-23-20-15-9-8-10-17(20)16-21(22(23)24)26(25,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3
InChIKeyIGTWKJBFQNYSKR-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.18
Rot. Bonds3

About 3-diphenylphosphoryl-1-methylquinolin-2-one

3-diphenylphosphoryl-1-methylquinolin-2-one (PubChem CID 132608905) has the molecular formula C22H18NO2P and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-1-methylquinolin-2-one
PubChem CID132608905
Molecular FormulaC22H18NO2P
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC Name3-diphenylphosphoryl-1-methylquinolin-2-one
SMILESCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C22H18NO2P/c1-23-20-15-9-8-10-17(20)16-21(22(23)24)26(25,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3
InChIKeyIGTWKJBFQNYSKR-UHFFFAOYSA-N
XLogP3.18
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diphenylphosphoryl-1-methylquinolin-2-one?
The IUPAC name of 3-diphenylphosphoryl-1-methylquinolin-2-one (CID 132608905) is 3-diphenylphosphoryl-1-methylquinolin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-1-methylquinolin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-1-methylquinolin-2-one is Cn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2ccccc21.
What is the InChIKey of 3-diphenylphosphoryl-1-methylquinolin-2-one?
The InChIKey is IGTWKJBFQNYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO2P/c1-23-20-15-9-8-10-17(20)16-21(22(23)24)26(25,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-16H,1H3.
What are the key properties of 3-diphenylphosphoryl-1-methylquinolin-2-one?
3-diphenylphosphoryl-1-methylquinolin-2-one has a molecular weight of 359.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1-methylquinolin-2-one is sourced from PubChem (CID 132608905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).