(1-benzyl-2-oxoquinolin-3-yl) selenocyanate

C17H12N2OSe — CID 150337772

IUPAC(1-benzyl-2-oxoquinolin-3-yl) selenocyanate
SMILESN#C[Se]c1cc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H12N2OSe/c18-12-21-16-10-14-8-4-5-9-15(14)19(17(16)20)11-13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyGRAWXNAKWGLNRL-UHFFFAOYSA-N
MW339.26 g/mol
LogP1.86
Rot. Bonds3

About (1-benzyl-2-oxoquinolin-3-yl) selenocyanate

(1-benzyl-2-oxoquinolin-3-yl) selenocyanate (PubChem CID 150337772) has the molecular formula C17H12N2OSe and a molecular weight of 339.26 g/mol. Its IUPAC name is (1-benzyl-2-oxoquinolin-3-yl) selenocyanate.

Molecular Properties

Compound Name(1-benzyl-2-oxoquinolin-3-yl) selenocyanate
PubChem CID150337772
Molecular FormulaC17H12N2OSe
Molecular Weight339.26 g/mol
Exact Mass340.01
IUPAC Name(1-benzyl-2-oxoquinolin-3-yl) selenocyanate
SMILESN#C[Se]c1cc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H12N2OSe/c18-12-21-16-10-14-8-4-5-9-15(14)19(17(16)20)11-13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyGRAWXNAKWGLNRL-UHFFFAOYSA-N
XLogP1.86
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-oxoquinolin-3-yl) selenocyanate?
The IUPAC name of (1-benzyl-2-oxoquinolin-3-yl) selenocyanate (CID 150337772) is (1-benzyl-2-oxoquinolin-3-yl) selenocyanate.
What is the SMILES notation for (1-benzyl-2-oxoquinolin-3-yl) selenocyanate?
The canonical SMILES for (1-benzyl-2-oxoquinolin-3-yl) selenocyanate is N#C[Se]c1cc2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of (1-benzyl-2-oxoquinolin-3-yl) selenocyanate?
The InChIKey is GRAWXNAKWGLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OSe/c18-12-21-16-10-14-8-4-5-9-15(14)19(17(16)20)11-13-6-2-1-3-7-13/h1-10H,11H2.
What are the key properties of (1-benzyl-2-oxoquinolin-3-yl) selenocyanate?
(1-benzyl-2-oxoquinolin-3-yl) selenocyanate has a molecular weight of 339.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-oxoquinolin-3-yl) selenocyanate is sourced from PubChem (CID 150337772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).