3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one

C27H28NO5P — CID 163951737

IUPAC3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one
SMILESCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(OC)ccc21
InChIInChI=1S/C27H28NO5P/c1-31-17-18-33-16-15-28-25-14-13-22(32-2)19-21(25)20-26(27(28)29)34(30,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20H,15-18H2,1-2H3
InChIKeyRZXNRBJACGGZMI-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.31
Rot. Bonds10

About 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one

3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one (PubChem CID 163951737) has the molecular formula C27H28NO5P and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one
PubChem CID163951737
Molecular FormulaC27H28NO5P
Molecular Weight477.50 g/mol
Exact Mass477.17
IUPAC Name3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one
SMILESCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(OC)ccc21
InChIInChI=1S/C27H28NO5P/c1-31-17-18-33-16-15-28-25-14-13-22(32-2)19-21(25)20-26(27(28)29)34(30,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20H,15-18H2,1-2H3
InChIKeyRZXNRBJACGGZMI-UHFFFAOYSA-N
XLogP3.31
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one?
The IUPAC name of 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one (CID 163951737) is 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one is COCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(OC)ccc21.
What is the InChIKey of 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one?
The InChIKey is RZXNRBJACGGZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28NO5P/c1-31-17-18-33-16-15-28-25-14-13-22(32-2)19-21(25)20-26(27(28)29)34(30,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one?
3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one has a molecular weight of 477.50 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one is sourced from PubChem (CID 163951737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).