benzo[h]quinolin-10-ylphosphonic acid

C13H10NO3P — CID 134535865

IUPACbenzo[h]quinolin-10-ylphosphonic acid
SMILESO=P(O)(O)c1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H10NO3P/c15-18(16,17)11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8H,(H2,15,16,17)
InChIKeyJHQMMOAWBQJDKI-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.19
Rot. Bonds1

About benzo[h]quinolin-10-ylphosphonic acid

benzo[h]quinolin-10-ylphosphonic acid (PubChem CID 134535865) has the molecular formula C13H10NO3P and a molecular weight of 259.20 g/mol. Its IUPAC name is benzo[h]quinolin-10-ylphosphonic acid.

Molecular Properties

Compound Namebenzo[h]quinolin-10-ylphosphonic acid
PubChem CID134535865
Molecular FormulaC13H10NO3P
Molecular Weight259.20 g/mol
Exact Mass259.04
IUPAC Namebenzo[h]quinolin-10-ylphosphonic acid
SMILESO=P(O)(O)c1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H10NO3P/c15-18(16,17)11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8H,(H2,15,16,17)
InChIKeyJHQMMOAWBQJDKI-UHFFFAOYSA-N
XLogP2.19
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 70016201
CID 70016201
benzo[h]quinolin-10-olate
CID 101433150
quinolin-8-ylmethylphosphonic acid
CID 12629202
benzo[h]quinolin-10-ylhydrazine
CID 126501298
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-10-ylphosphonic acid?
The IUPAC name of benzo[h]quinolin-10-ylphosphonic acid (CID 134535865) is benzo[h]quinolin-10-ylphosphonic acid.
What is the SMILES notation for benzo[h]quinolin-10-ylphosphonic acid?
The canonical SMILES for benzo[h]quinolin-10-ylphosphonic acid is O=P(O)(O)c1cccc2ccc3cccnc3c12.
What is the InChIKey of benzo[h]quinolin-10-ylphosphonic acid?
The InChIKey is JHQMMOAWBQJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NO3P/c15-18(16,17)11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8H,(H2,15,16,17).
What are the key properties of benzo[h]quinolin-10-ylphosphonic acid?
benzo[h]quinolin-10-ylphosphonic acid has a molecular weight of 259.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-10-ylphosphonic acid is sourced from PubChem (CID 134535865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).