4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one

C16H17ClN2O — CID 168508323

IUPAC4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H17ClN2O/c17-10-13-9-16(20)19(11-13)7-5-12-3-4-15-14(8-12)2-1-6-18-15/h1-4,6,8,13H,5,7,9-11H2
InChIKeyWRKRBFQIDJJMRF-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.86
Rot. Bonds4

About 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one (PubChem CID 168508323) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
PubChem CID168508323
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H17ClN2O/c17-10-13-9-16(20)19(11-13)7-5-12-3-4-15-14(8-12)2-1-6-18-15/h1-4,6,8,13H,5,7,9-11H2
InChIKeyWRKRBFQIDJJMRF-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one 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

4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
6-(2-chloroethyl)quinoline
CID 53404433
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347
5-oxo-1-(2-quinoxalin-6-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714914
[5-oxo-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673807
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
4-(chloromethyl)-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168508263

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one (CID 168508323) is 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1CCc1ccc2ncccc2c1.
What is the InChIKey of 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one?
The InChIKey is WRKRBFQIDJJMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-10-13-9-16(20)19(11-13)7-5-12-3-4-15-14(8-12)2-1-6-18-15/h1-4,6,8,13H,5,7,9-11H2.
What are the key properties of 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one has a molecular weight of 288.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).