1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione

C14H11ClN2O2 — CID 162469910

IUPAC1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2
InChIKeyOYMSTTIISPUJOI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds2

About 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione

1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 162469910) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
PubChem CID162469910
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2
InChIKeyOYMSTTIISPUJOI-UHFFFAOYSA-N
XLogP2.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-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 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione (CID 162469910) is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is OYMSTTIISPUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2.
What are the key properties of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 274.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 162469910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).