3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one

C14H18NO5P — CID 54680599

IUPAC3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
SMILESCCOP(=O)(OCC)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H18NO5P/c1-4-19-21(18,20-5-2)13-12(16)10-8-6-7-9-11(10)15(3)14(13)17/h6-9,16H,4-5H2,1-3H3
InChIKeyNRYFFFGRHNNRRP-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.14
Rot. Bonds5

About 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one

3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54680599) has the molecular formula C14H18NO5P and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
PubChem CID54680599
Molecular FormulaC14H18NO5P
Molecular Weight311.27 g/mol
Exact Mass311.09
IUPAC Name3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
SMILESCCOP(=O)(OCC)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H18NO5P/c1-4-19-21(18,20-5-2)13-12(16)10-8-6-7-9-11(10)15(3)14(13)17/h6-9,16H,4-5H2,1-3H3
InChIKeyNRYFFFGRHNNRRP-UHFFFAOYSA-N
XLogP2.14
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one (CID 54680599) is 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one is CCOP(=O)(OCC)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is NRYFFFGRHNNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO5P/c1-4-19-21(18,20-5-2)13-12(16)10-8-6-7-9-11(10)15(3)14(13)17/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one?
3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 311.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54680599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).