5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium

C17H11NO2 — CID 118174538

IUPAC5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium
SMILES[O-][n+]1cc2cc(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C17H11NO2/c19-18-11-13-10-16(12-6-2-1-3-7-12)20-17(13)14-8-4-5-9-15(14)18/h1-11H
InChIKeyHUYDWCCKVAJZLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.89
Rot. Bonds1

About 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium

5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium (PubChem CID 118174538) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium.

Molecular Properties

Compound Name5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium
PubChem CID118174538
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium
SMILES[O-][n+]1cc2cc(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C17H11NO2/c19-18-11-13-10-16(12-6-2-1-3-7-12)20-17(13)14-8-4-5-9-15(14)18/h1-11H
InChIKeyHUYDWCCKVAJZLI-UHFFFAOYSA-N
XLogP3.89
TPSA40.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium?
The IUPAC name of 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium (CID 118174538) is 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium.
What is the SMILES notation for 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium?
The canonical SMILES for 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium is [O-][n+]1cc2cc(-c3ccccc3)oc2c2ccccc21.
What is the InChIKey of 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium?
The InChIKey is HUYDWCCKVAJZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-18-11-13-10-16(12-6-2-1-3-7-12)20-17(13)14-8-4-5-9-15(14)18/h1-11H.
What are the key properties of 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium?
5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium has a molecular weight of 261.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium is sourced from PubChem (CID 118174538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).