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

C20H21ClN2O3 — CID 20752232

IUPAC(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C20H21ClN2O3/c1-2-3-4-5-8-11-23-19(24)17(26-20(23)25)13-15-12-14-9-6-7-10-16(14)22-18(15)21/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b17-13+
InChIKeyFCBKTEXIIGDOKV-GHRIWEEISA-N
MW372.85 g/mol
LogP5.18
Rot. Bonds7

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

(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione (PubChem CID 20752232) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione
PubChem CID20752232
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C20H21ClN2O3/c1-2-3-4-5-8-11-23-19(24)17(26-20(23)25)13-15-12-14-9-6-7-10-16(14)22-18(15)21/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b17-13+
InChIKeyFCBKTEXIIGDOKV-GHRIWEEISA-N
XLogP5.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione (CID 20752232) is (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione is CCCCCCCN1C(=O)O/C(=C/c2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione?
The InChIKey is FCBKTEXIIGDOKV-GHRIWEEISA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-3-4-5-8-11-23-19(24)17(26-20(23)25)13-15-12-14-9-6-7-10-16(14)22-18(15)21/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b17-13+.
What are the key properties of (5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione?
(5E)-5-[(2-chloroquinolin-3-yl)methylidene]-3-heptyl-1,3-oxazolidine-2,4-dione has a molecular weight of 372.85 g/mol, XLogP of 5.18, 7 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-heptyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 20752232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).