(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione

C13H8N2O3 — CID 70297069

IUPAC(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3ccccc3n2)O1
InChIInChI=1S/C13H8N2O3/c16-12-11(18-13(17)15-12)7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H,15,16,17)/b11-7+
InChIKeyMVMVJGCSKLLWFL-YRNVUSSQSA-N
MW240.22 g/mol
LogP1.84
Rot. Bonds1

About (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione

(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione (PubChem CID 70297069) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
PubChem CID70297069
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3ccccc3n2)O1
InChIInChI=1S/C13H8N2O3/c16-12-11(18-13(17)15-12)7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H,15,16,17)/b11-7+
InChIKeyMVMVJGCSKLLWFL-YRNVUSSQSA-N
XLogP1.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione (CID 70297069) is (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3ccccc3n2)O1.
What is the InChIKey of (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione?
The InChIKey is MVMVJGCSKLLWFL-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-12-11(18-13(17)15-12)7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H,15,16,17)/b11-7+.
What are the key properties of (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione?
(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).