4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one

C14H13ClN2O2 — CID 168687900

IUPAC4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
SMILESCOc1cc(N2CC(Cl)CC2=O)c2ncccc2c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-9-3-2-4-16-14(9)12(7-11)17-8-10(15)6-13(17)18/h2-5,7,10H,6,8H2,1H3
InChIKeyOKQPJGCRMWHVAV-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.59
Rot. Bonds2

About 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one

4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one (PubChem CID 168687900) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
PubChem CID168687900
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
SMILESCOc1cc(N2CC(Cl)CC2=O)c2ncccc2c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-9-3-2-4-16-14(9)12(7-11)17-8-10(15)6-13(17)18/h2-5,7,10H,6,8H2,1H3
InChIKeyOKQPJGCRMWHVAV-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
1-(6-methoxyquinolin-8-yl)pyrrolidine-2,5-dione
CID 608395
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one
CID 168687804
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
6-methoxyquinolin-8-amine;hydrochloride
CID 51063263
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
S-(5-oxo-1-quinolin-8-ylpyrrolidin-3-yl) ethanethioate
CID 168707029

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one (CID 168687900) is 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one is COc1cc(N2CC(Cl)CC2=O)c2ncccc2c1.
What is the InChIKey of 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one?
The InChIKey is OKQPJGCRMWHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-11-5-9-3-2-4-16-14(9)12(7-11)17-8-10(15)6-13(17)18/h2-5,7,10H,6,8H2,1H3.
What are the key properties of 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one?
4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one has a molecular weight of 276.72 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).