3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one

C24H22NO2P — CID 132608908

IUPAC3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one
SMILESCc1cc(C)c2cc(P(=O)(c3ccccc3)c3ccccc3)c(=O)n(C)c2c1
InChIInChI=1S/C24H22NO2P/c1-17-14-18(2)21-16-23(24(26)25(3)22(21)15-17)28(27,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16H,1-3H3
InChIKeyZSKHQWDSSURIHF-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.79
Rot. Bonds3

About 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one

3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one (PubChem CID 132608908) has the molecular formula C24H22NO2P and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one
PubChem CID132608908
Molecular FormulaC24H22NO2P
Molecular Weight387.42 g/mol
Exact Mass387.14
IUPAC Name3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one
SMILESCc1cc(C)c2cc(P(=O)(c3ccccc3)c3ccccc3)c(=O)n(C)c2c1
InChIInChI=1S/C24H22NO2P/c1-17-14-18(2)21-16-23(24(26)25(3)22(21)15-17)28(27,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16H,1-3H3
InChIKeyZSKHQWDSSURIHF-UHFFFAOYSA-N
XLogP3.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-1-phenylindole;ethane
CID 156724635
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256
1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one
CID 84630848
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
CID 175349711
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one
CID 170287173
5-diphenylphosphoryl-6-methyl-1-(4-methylphenyl)-2-oxo-3-phenyl-1,3,2-diazaphosphinin-2-ium-4-one
CID 177497465
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
(E)-N-benzyl-N-(2-diphenylphosphoryl-4,6-dimethylphenyl)but-2-enamide
CID 102436121
2,4,9-trimethylcarbazole
CID 12613661

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one?
The IUPAC name of 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one (CID 132608908) is 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one is Cc1cc(C)c2cc(P(=O)(c3ccccc3)c3ccccc3)c(=O)n(C)c2c1.
What is the InChIKey of 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one?
The InChIKey is ZSKHQWDSSURIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO2P/c1-17-14-18(2)21-16-23(24(26)25(3)22(21)15-17)28(27,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16H,1-3H3.
What are the key properties of 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one?
3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one has a molecular weight of 387.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one is sourced from PubChem (CID 132608908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).