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

C13H7ClN2O3 — CID 89191633

IUPAC(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3ccccc3nc2Cl)O1
InChIInChI=1S/C13H7ClN2O3/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6+
InChIKeyQGTJDBNWPBJCNZ-UXBLZVDNSA-N
MW274.66 g/mol
LogP2.50
Rot. Bonds1

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

(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 89191633) has the molecular formula C13H7ClN2O3 and a molecular weight of 274.66 g/mol. Its IUPAC name is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID89191633
Molecular FormulaC13H7ClN2O3
Molecular Weight274.66 g/mol
Exact Mass274.01
IUPAC Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3ccccc3nc2Cl)O1
InChIInChI=1S/C13H7ClN2O3/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6+
InChIKeyQGTJDBNWPBJCNZ-UXBLZVDNSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
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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Related Compounds

(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18669003
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione
CID 20715574
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-methyl-1,3-oxazolidine-2,4-dione
CID 20715575
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione
CID 20752232
(5E)-5-[(2-chloro-5,6,7,8-tetrahydroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione
CID 58607657
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59039020
(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 66908601
(5E)-3-(2-methoxyethyl)-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 68325168
(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
CID 70297069
5-(Quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
CID 70297070
(5Z)-5-(quinolin-4-ylmethylidene)-1,3-oxazolidine-2,4-dione
CID 70297106
5-(Quinolin-4-ylmethylidene)-1,3-oxazolidine-2,4-dione
CID 70297107

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (CID 89191633) is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3ccccc3nc2Cl)O1.
What is the InChIKey of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is QGTJDBNWPBJCNZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H7ClN2O3/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6+.
What are the key properties of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 274.66 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 89191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).