diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol

C15H19N4O5P — CID 45276779

IUPACdiethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol
SMILESCCOP(=O)(OCC)C(O)c1cc2cccc(OC)c2n2nnnc12
InChIInChI=1S/C15H19N4O5P/c1-4-23-25(21,24-5-2)15(20)11-9-10-7-6-8-12(22-3)13(10)19-14(11)16-17-18-19/h6-9,15,20H,4-5H2,1-3H3
InChIKeyMUMDFNWUTZKCSN-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.54
Rot. Bonds7

About diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol

diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol (PubChem CID 45276779) has the molecular formula C15H19N4O5P and a molecular weight of 366.31 g/mol. Its IUPAC name is diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol.

Molecular Properties

Compound Namediethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol
PubChem CID45276779
Molecular FormulaC15H19N4O5P
Molecular Weight366.31 g/mol
Exact Mass366.11
IUPAC Namediethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol
SMILESCCOP(=O)(OCC)C(O)c1cc2cccc(OC)c2n2nnnc12
InChIInChI=1S/C15H19N4O5P/c1-4-23-25(21,24-5-2)15(20)11-9-10-7-6-8-12(22-3)13(10)19-14(11)16-17-18-19/h6-9,15,20H,4-5H2,1-3H3
InChIKeyMUMDFNWUTZKCSN-UHFFFAOYSA-N
XLogP2.54
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol?
The IUPAC name of diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol (CID 45276779) is diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol.
What is the SMILES notation for diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol?
The canonical SMILES for diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol is CCOP(=O)(OCC)C(O)c1cc2cccc(OC)c2n2nnnc12.
What is the InChIKey of diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol?
The InChIKey is MUMDFNWUTZKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4O5P/c1-4-23-25(21,24-5-2)15(20)11-9-10-7-6-8-12(22-3)13(10)19-14(11)16-17-18-19/h6-9,15,20H,4-5H2,1-3H3.
What are the key properties of diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol?
diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol has a molecular weight of 366.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-(9-methoxytetrazolo[1,5-a]quinolin-4-yl)methanol is sourced from PubChem (CID 45276779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).