(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione

C14H9ClN2O3 — CID 20715575

IUPAC(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C14H9ClN2O3/c1-17-13(18)11(20-14(17)19)7-9-6-8-4-2-3-5-10(8)16-12(9)15/h2-7H,1H3/b11-7+
InChIKeyMRYYXXARBXXJAB-YRNVUSSQSA-N
MW288.69 g/mol
LogP2.84
Rot. Bonds1

About (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione

(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 20715575) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione
PubChem CID20715575
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C14H9ClN2O3/c1-17-13(18)11(20-14(17)19)7-9-6-8-4-2-3-5-10(8)16-12(9)15/h2-7H,1H3/b11-7+
InChIKeyMRYYXXARBXXJAB-YRNVUSSQSA-N
XLogP2.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione (CID 20715575) is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione is CN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is MRYYXXARBXXJAB-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-17-13(18)11(20-14(17)19)7-9-6-8-4-2-3-5-10(8)16-12(9)15/h2-7H,1H3/b11-7+.
What are the key properties of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione?
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 288.69 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 20715575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).