2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium

C18H12N2O2 — CID 164668046

IUPAC2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium
SMILES[O-][n+]1c(-c2ccco2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H12N2O2/c21-20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-18(20)16-11-6-12-22-16/h1-12H
InChIKeyXESQBPBWLQOECP-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.80
Rot. Bonds2

About 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium

2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium (PubChem CID 164668046) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium.

Molecular Properties

Compound Name2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium
PubChem CID164668046
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium
SMILES[O-][n+]1c(-c2ccco2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H12N2O2/c21-20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-18(20)16-11-6-12-22-16/h1-12H
InChIKeyXESQBPBWLQOECP-UHFFFAOYSA-N
XLogP3.80
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium?
The IUPAC name of 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium (CID 164668046) is 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium.
What is the SMILES notation for 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium?
The canonical SMILES for 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium is [O-][n+]1c(-c2ccco2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium?
The InChIKey is XESQBPBWLQOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-18(20)16-11-6-12-22-16/h1-12H.
What are the key properties of 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium?
2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium has a molecular weight of 288.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-oxido-4-phenylquinazolin-3-ium is sourced from PubChem (CID 164668046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).