disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate

C15H9FNNa2O4P — CID 24991372

IUPACdisodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate
SMILESO=P([O-])([O-])Oc1cc(-c2ccccc2)nc2ccc(F)cc12.[Na+].[Na+]
InChIInChI=1S/C15H11FNO4P.2Na/c16-11-6-7-13-12(8-11)15(21-22(18,19)20)9-14(17-13)10-4-2-1-3-5-10;;/h1-9H,(H2,18,19,20);;/q;2*+1/p-2
InChIKeyNDDHMJQCBVFNMV-UHFFFAOYSA-L
MW363.19 g/mol
LogP-3.74
Rot. Bonds3

About disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate

disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate (PubChem CID 24991372) has the molecular formula C15H9FNNa2O4P and a molecular weight of 363.19 g/mol. Its IUPAC name is disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate.

Molecular Properties

Compound Namedisodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate
PubChem CID24991372
Molecular FormulaC15H9FNNa2O4P
Molecular Weight363.19 g/mol
Exact Mass363.00
IUPAC Namedisodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate
SMILESO=P([O-])([O-])Oc1cc(-c2ccccc2)nc2ccc(F)cc12.[Na+].[Na+]
InChIInChI=1S/C15H11FNO4P.2Na/c16-11-6-7-13-12(8-11)15(21-22(18,19)20)9-14(17-13)10-4-2-1-3-5-10;;/h1-9H,(H2,18,19,20);;/q;2*+1/p-2
InChIKeyNDDHMJQCBVFNMV-UHFFFAOYSA-L
XLogP-3.74
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 5-3.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate?
The IUPAC name of disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate (CID 24991372) is disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate.
What is the SMILES notation for disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate?
The canonical SMILES for disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate is O=P([O-])([O-])Oc1cc(-c2ccccc2)nc2ccc(F)cc12.[Na+].[Na+].
What is the InChIKey of disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate?
The InChIKey is NDDHMJQCBVFNMV-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11FNO4P.2Na/c16-11-6-7-13-12(8-11)15(21-22(18,19)20)9-14(17-13)10-4-2-1-3-5-10;;/h1-9H,(H2,18,19,20);;/q;2*+1/p-2.
What are the key properties of disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate?
disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate has a molecular weight of 363.19 g/mol, XLogP of -3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate is sourced from PubChem (CID 24991372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).