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

C16H13ClN2O4 — CID 20715574

IUPAC(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione
SMILESCOCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C16H13ClN2O4/c1-22-7-6-19-15(20)13(23-16(19)21)9-11-8-10-4-2-3-5-12(10)18-14(11)17/h2-5,8-9H,6-7H2,1H3/b13-9+
InChIKeyJEPBIPCRSBZJID-UKTHLTGXSA-N
MW332.74 g/mol
LogP2.85
Rot. Bonds4

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

(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 20715574) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione
PubChem CID20715574
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione
SMILESCOCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C16H13ClN2O4/c1-22-7-6-19-15(20)13(23-16(19)21)9-11-8-10-4-2-3-5-12(10)18-14(11)17/h2-5,8-9H,6-7H2,1H3/b13-9+
InChIKeyJEPBIPCRSBZJID-UKTHLTGXSA-N
XLogP2.85
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-2-methoxy-N-phenethyl-acetamide
CID 1459837
Tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate
CID 122441845
tert-butyl (2R)-2-(4-chloroquinolin-2-yl)pyrrolidine-1-carboxylate
CID 164666218
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 30476780
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
CID 856832
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
CID 1459734
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide
CID 1459739
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216868
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216888
(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
11-chloro-3-ethoxycarbonyl-1,2,4,5-tetrahydro-3H-azepino[4,5-b]quinoline
CID 21503644

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione (CID 20715574) is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione is COCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is JEPBIPCRSBZJID-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-22-7-6-19-15(20)13(23-16(19)21)9-11-8-10-4-2-3-5-12(10)18-14(11)17/h2-5,8-9H,6-7H2,1H3/b13-9+.
What are the key properties of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione?
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 332.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-(2-methoxyethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 20715574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).