7-phosphorosoquinolin-1-ium

C9H7NOP+ — CID 175349758

IUPAC7-phosphorosoquinolin-1-ium
SMILESO=Pc1ccc2ccc[nH+]c2c1
InChIInChI=1S/C9H6NOP/c11-12-8-4-3-7-2-1-5-10-9(7)6-8/h1-6H/p+1
InChIKeyQWCYJVWMPAJMGU-UHFFFAOYSA-O
MW176.13 g/mol
LogP1.57
Rot. Bonds1

About 7-phosphorosoquinolin-1-ium

7-phosphorosoquinolin-1-ium (PubChem CID 175349758) has the molecular formula C9H7NOP+ and a molecular weight of 176.13 g/mol. Its IUPAC name is 7-phosphorosoquinolin-1-ium.

Molecular Properties

Compound Name7-phosphorosoquinolin-1-ium
PubChem CID175349758
Molecular FormulaC9H7NOP+
Molecular Weight176.13 g/mol
Exact Mass176.03
IUPAC Name7-phosphorosoquinolin-1-ium
SMILESO=Pc1ccc2ccc[nH+]c2c1
InChIInChI=1S/C9H6NOP/c11-12-8-4-3-7-2-1-5-10-9(7)6-8/h1-6H/p+1
InChIKeyQWCYJVWMPAJMGU-UHFFFAOYSA-O
XLogP1.57
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phosphorosoquinolin-1-ium?
The IUPAC name of 7-phosphorosoquinolin-1-ium (CID 175349758) is 7-phosphorosoquinolin-1-ium.
What is the SMILES notation for 7-phosphorosoquinolin-1-ium?
The canonical SMILES for 7-phosphorosoquinolin-1-ium is O=Pc1ccc2ccc[nH+]c2c1.
What is the InChIKey of 7-phosphorosoquinolin-1-ium?
The InChIKey is QWCYJVWMPAJMGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H6NOP/c11-12-8-4-3-7-2-1-5-10-9(7)6-8/h1-6H/p+1.
What are the key properties of 7-phosphorosoquinolin-1-ium?
7-phosphorosoquinolin-1-ium has a molecular weight of 176.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phosphorosoquinolin-1-ium is sourced from PubChem (CID 175349758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).