[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate

C16H11FNO6P — CID 24812775

IUPAC[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3
InChIInChI=1S/C16H11FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-7H,8H2,(H2,19,20,21)
InChIKeyOQKGBVLRGGNNDT-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.24
Rot. Bonds3

About [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate

[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate (PubChem CID 24812775) has the molecular formula C16H11FNO6P and a molecular weight of 363.24 g/mol. Its IUPAC name is [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate
PubChem CID24812775
Molecular FormulaC16H11FNO6P
Molecular Weight363.24 g/mol
Exact Mass363.03
IUPAC Name[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3
InChIInChI=1S/C16H11FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-7H,8H2,(H2,19,20,21)
InChIKeyOQKGBVLRGGNNDT-UHFFFAOYSA-N
XLogP3.24
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate?
The IUPAC name of [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate (CID 24812775) is [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate.
What is the SMILES notation for [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate?
The canonical SMILES for [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate is O=P(O)(O)Oc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3.
What is the InChIKey of [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate?
The InChIKey is OQKGBVLRGGNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-7H,8H2,(H2,19,20,21).
What are the key properties of [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate?
[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate has a molecular weight of 363.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate is sourced from PubChem (CID 24812775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).