3-diphenylphosphoryl-1,6-dimethylquinolin-2-one

C23H20NO2P — CID 132608907

IUPAC3-diphenylphosphoryl-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)cc(P(=O)(c1ccccc1)c1ccccc1)c(=O)n2C
InChIInChI=1S/C23H20NO2P/c1-17-13-14-21-18(15-17)16-22(23(25)24(21)2)27(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyPMNRRFIWWSFRJU-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.49
Rot. Bonds3

About 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one

3-diphenylphosphoryl-1,6-dimethylquinolin-2-one (PubChem CID 132608907) has the molecular formula C23H20NO2P and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-1,6-dimethylquinolin-2-one
PubChem CID132608907
Molecular FormulaC23H20NO2P
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-diphenylphosphoryl-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)cc(P(=O)(c1ccccc1)c1ccccc1)c(=O)n2C
InChIInChI=1S/C23H20NO2P/c1-17-13-14-21-18(15-17)16-22(23(25)24(21)2)27(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyPMNRRFIWWSFRJU-UHFFFAOYSA-N
XLogP3.49
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.49
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-1,6-dimethylquinolin-2-one?
The IUPAC name of 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one (CID 132608907) is 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one is Cc1ccc2c(c1)cc(P(=O)(c1ccccc1)c1ccccc1)c(=O)n2C.
What is the InChIKey of 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one?
The InChIKey is PMNRRFIWWSFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO2P/c1-17-13-14-21-18(15-17)16-22(23(25)24(21)2)27(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3.
What are the key properties of 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one?
3-diphenylphosphoryl-1,6-dimethylquinolin-2-one has a molecular weight of 373.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1,6-dimethylquinolin-2-one is sourced from PubChem (CID 132608907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).