3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one

C16H22NO7P — CID 54733047

IUPAC3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one
SMILESCCOP(=O)(OCC)c1c(O)c2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C16H22NO7P/c1-6-23-25(20,24-7-2)15-14(18)10-8-12(21-4)13(22-5)9-11(10)17(3)16(15)19/h8-9,18H,6-7H2,1-5H3
InChIKeyRBONKSDKAVNQBU-UHFFFAOYSA-N
MW371.33 g/mol
LogP2.15
Rot. Bonds7

About 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one

3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one (PubChem CID 54733047) has the molecular formula C16H22NO7P and a molecular weight of 371.33 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one
PubChem CID54733047
Molecular FormulaC16H22NO7P
Molecular Weight371.33 g/mol
Exact Mass371.11
IUPAC Name3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one
SMILESCCOP(=O)(OCC)c1c(O)c2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C16H22NO7P/c1-6-23-25(20,24-7-2)15-14(18)10-8-12(21-4)13(22-5)9-11(10)17(3)16(15)19/h8-9,18H,6-7H2,1-5H3
InChIKeyRBONKSDKAVNQBU-UHFFFAOYSA-N
XLogP2.15
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one?
The IUPAC name of 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one (CID 54733047) is 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one is CCOP(=O)(OCC)c1c(O)c2cc(OC)c(OC)cc2n(C)c1=O.
What is the InChIKey of 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one?
The InChIKey is RBONKSDKAVNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO7P/c1-6-23-25(20,24-7-2)15-14(18)10-8-12(21-4)13(22-5)9-11(10)17(3)16(15)19/h8-9,18H,6-7H2,1-5H3.
What are the key properties of 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one?
3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one has a molecular weight of 371.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-hydroxy-6,7-dimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 54733047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).